SCHEMBL7037985

SCHEMBL7037985

COC(=O)CCc1ccc(OCCCBr)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LTA4H P09960 2/20 0.51
FFAR1 O14842 4/20 0.50
PPARG P37231 1/20 0.48
KMT2A Q03164 2/20 0.48
F2RL1 P55085 1/20 0.47
ATM Q13315 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL4944581 0.95 ADRB2 (0.52) ADRB2ADRB1LMNAL3MBTL1LTA4H
SCHEMBL28549048 0.92 ADRB2 (0.54) ADRB2ADRB1LMNAL3MBTL1LTA4H
SCHEMBL2159817 0.90 LTA4H (0.50) ADRB2ADRB1LMNAL3MBTL1LTA4H
SCHEMBL2170785 0.88 FFAR1 (0.50) ADRB2ADRB1LMNAL3MBTL1LTA4H
SCHEMBL28397849 0.88 LTA4H (0.49) ADRB2ADRB1LMNAL3MBTL1LTA4H
SCHEMBL7528179 0.88 LMNA (0.62) ADRB2ADRB1LMNAL3MBTL1FFAR1
SCHEMBL28543599 0.86 ADRB2 (0.54) ADRB2ADRB1LMNAL3MBTL1LTA4H
SCHEMBL1744994 0.85 CYP4F2 (0.59) LMNAL3MBTL1LTA4HFFAR1PPARG
SCHEMBL4513486 0.85 FFAR1 (0.64) ADRB2ADRB1LMNAL3MBTL1LTA4H
SCHEMBL3985473 0.84 SMN1; SMN2 (0.53) LMNALTA4HKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4438596-A1 DIAMINOPYRIMIDINE DERIVATIVES AS HDAC AND DHFR DUAL-TARGETING INHIBITORS AND USE THEREOF IN PREVENTING AND TREATING MALARIA Université de Lille (FR) 2024-10-02 EP disclosed
EP-0882029-B1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO INC (US) 2003-04-02 EP disclosed
US-6090836-A DIETETICS; ADJUSTMENT OF TRIGLYCERIDE CONCENTRATION MERCK & CO., INC. (US) 2000-07-18 US disclosed
EP-0882029-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS Merck & Co., Inc. (US) 1998-12-09 EP disclosed
WO-1997028137-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed