SCHEMBL255657

SCHEMBL255657

Ic1ccc(OC2CCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.48
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
EPHX2 P34913 4/20 0.43
HPGD P15428 1/20 0.42
FURIN P09958 2/20 0.42
HRH3 Q9Y5N1 2/20 0.41
HRH1 P35367 1/20 0.41
FFAR1 O14842 1/20 0.40
ALOX12 P18054 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4373401 0.98 PARP10 (0.47) PARP10ALDH1A1TSHREPHX2HPGD
SCHEMBL256373 0.95 PARP10 (0.53) PARP10ALDH1A1TSHREPHX2HPGD
SCHEMBL2242868 0.85 PARP10 (0.55) PARP10ALDH1A1TSHREPHX2HPGD
SCHEMBL2838235 0.81 EPHX2 (0.40) PARP10EPHX2HRH3HRH1
SCHEMBL3574466 0.81 HRH1 (0.66) EPHX2HRH3HRH1
Hydrochloric Acid SCHEMBL15476748 0.79 HRH1 (0.63) EPHX2HRH3HRH1
SCHEMBL9939064 0.79 ACACB (0.44) PARP10ALDH1A1TSHREPHX2FURIN
SCHEMBL16292008 0.79 FURIN (0.49) PARP10ALDH1A1TSHREPHX2FURIN
SCHEMBL16291678 0.79 FURIN (0.49) PARP10ALDH1A1TSHREPHX2FURIN
SCHEMBL20217186 0.79 FURIN (0.49) PARP10ALDH1A1TSHREPHX2FURIN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5620677-A CONTRAST AGENTS IN DIAGNOSTIC RADIOLOGY STERLING WINTHROP INC. (US) 1997-04-15 US claimed
US-5607660-A X-RAY CONTRAST AGENTS FOR INTESTINES STERLING WINTHROP INC. (US) 1997-03-04 US claimed
US-5531979-A X-RAY CONTRAST COMPOSITION STERLING WINTHROP INC. (US) 1996-07-02 US claimed
EP-0609586-A2 Compositions of iodophenoxy alkanes and iodophenyl ethers for visualization of the gastrointestinal tract NYCOMED IMAGING AS (NO) 1994-08-10 EP claimed
EP-0609587-A2 Compositions of iodophenoxy alkanes and iodophenyl ethers in film-forming materials for visualization of the gastrointestinal tract NYCOMED IMAGING AS (NO) 1994-08-10 EP claimed
US-5326553-A Compositions of iodophenoxy alkanes and iodophenyl ethers in film-forming materials for visualization of the gastrointestinal tract STERLING WINTHROP INC. (US) 1994-07-05 US claimed
US-5316755-A AQUEOUS X-RAY CONTRAST COMPOSITION FOR ORAL OR RECTAL ADMINISTRATION STERLING WINTHROP INC. (US) 1994-05-31 US claimed
WO-2023104035-A1 SUBSTITUTED MONOCYCLIC OR BICYCLIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 英矽智能科技(上海)有限公司 2023-06-15 WO disclosed
EP-4015504-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2022-06-22 EP disclosed
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 EP disclosed
EP-3078658-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2016-10-12 EP disclosed
EP-2614054-B1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-8877754-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-5531979-A X-RAY CONTRAST COMPOSITION STERLING WINTHROP INC. (US) 1996-07-02 US disclosed
WO-1995028969-A1 X-RAY CONTRAST COMPOSITIONS CONTAINING PHARMACEUTICALLY ACCEPTABLE CLAYS NYCOMED IMAGING AS (NO) 1995-11-02 WO disclosed
WO-1995022995-A1 X-RAY CONTRAST COMPOSITIONS CONTAINING CELLULOSE DERIVATIVES NYCOMED IMAGING A/S (NO) 1995-08-31 WO disclosed
EP-0609586-A2 Compositions of iodophenoxy alkanes and iodophenyl ethers for visualization of the gastrointestinal tract NYCOMED IMAGING AS (NO) 1994-08-10 EP disclosed
EP-0609587-A2 Compositions of iodophenoxy alkanes and iodophenyl ethers in film-forming materials for visualization of the gastrointestinal tract NYCOMED IMAGING AS (NO) 1994-08-10 EP disclosed
US-5326553-A Compositions of iodophenoxy alkanes and iodophenyl ethers in film-forming materials for visualization of the gastrointestinal tract STERLING WINTHROP INC. (US) 1994-07-05 US disclosed
US-5316755-A AQUEOUS X-RAY CONTRAST COMPOSITION FOR ORAL OR RECTAL ADMINISTRATION STERLING WINTHROP INC. (US) 1994-05-31 US disclosed