SCHEMBL27313233

SCHEMBL27313233

C[C](O)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
TDP1 Q9NUW8 2/20 0.54
SLC6A2 P23975 2/20 0.54
SLC6A3 Q01959 2/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
KMT2A Q03164 1/20 0.54
TSHR P16473 2/20 0.52
LMNA P02545 3/20 0.48
HCAR2 Q8TDS4 1/20 0.48
IDO1 P14902 1/20 0.48
AGXT P21549 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 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
SCHEMBL18427393 0.85 ALDH1A1 (0.68) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL40338 0.85 ALDH1A1 (0.68) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL42485 0.81 ALDH1A1 (0.63) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
E1501 SCHEMBL901210 0.81 ALDH1A1 (1.00) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL10701155 0.81 ALDH1A1 (0.63) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL7049526 0.81 ALDH1A1 (0.63) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL9383761 0.81 ALDH1A1 (0.63) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL7054415 0.81 ALDH1A1 (0.63) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
E1501 SCHEMBL14031569 0.81 ALDH1A1 (1.00) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL21518223 0.81 ALDH1A1 (0.63) ALDH1A1TDP1SLC6A2SLC6A3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1326461-A Meiosis regulating compounds NOVO NORDISK AS (DK) 2001-12-12 CN claimed
CN-105452244-A Benzothiophene derivatives as estrogen receptor inhibitors GLAXOSMITHKLINE IP DEV LTD 2016-03-30 CN disclosed
CN-104736569-A Compounds and methods for enhancing degradation of target proteins and other polypeptides by E3 ubiquitin ligase UNIV YALE 2015-06-24 CN disclosed
CN-102770421-B Orthoester derivatives of crown ethers as carriers for pharmaceutical and diagnostic compositions ARISGEN SA 2014-11-26 CN disclosed
CN-101684190-B Composition for forming coating layer, metal pattern material and method for producing same FUJI PHOTO FILM CO LTD 2014-04-02 CN disclosed
CN-101622243-B Sulfonamide derivative ASAHI KASEI PHARMA CORP 2013-12-04 CN disclosed
CN-101754970-B Macrocyclic indole derivatives for the treatment of hepatitis c infections ANGELETTI P IST RICHERCHE BIO 2013-07-10 CN disclosed
CN-102803223-A Cyclic compound having substituted phenyl group DAIICHI SANKYO CO LTD 2012-11-28 CN disclosed
CN-102770421-A Orthoester derivatives of crown ethers as carriers for pharmaceutical and diagnostic compositions ARISGEN SA 2012-11-07 CN disclosed
CN-101801982-A Macrocyclic indole derivatives for the treatment of hepatitis C infections ANGELETTI P IST RICHERCHE BIO 2010-08-11 CN disclosed
CN-101754970-A The Macrocyclic indole derivatives that is used for the treatment of hepatitis C ANGELETTI P IST RICHERCHE BIO 2010-06-23 CN disclosed
CN-101684190-A Composition for forming coating layer, metal pattern material and method for producing same FUJIFILM CORP 2010-03-31 CN disclosed
CN-101622243-A Sulfonamide derivative ASAHI KASEI PHARMA CORP 2010-01-06 CN disclosed
CN-100441556-C Triphenylalkene derivatives and their use as selective estrogen receptor modulators HORMOS MEDICAL LTD (FI) 2008-12-10 CN disclosed
CN-1861555-A Triphenylalkene derivatives and their use as selective estrogen receptor modulators HORMOS MEDICAL LTD (FI) 2006-11-15 CN disclosed
CN-1263720-C Triphenylalkene derivatives and their use as selective estrogen receptor modulators HORMOS MEDICAL OY LTD (FI) 2006-07-12 CN disclosed
CN-1399622-A Triphenylalkene derivatives and their use as selective estrogen receptor modulators HORMOS MEDICAL OY LTD (FI) 2003-02-26 CN disclosed
CN-1030604-C Heterocyclic compounds GLAXO SPA (IT) 1996-01-03 CN disclosed
CN-1064682-A The preparation method of heterogeneous ring compound GLAXO SPA (IT) 1992-09-23 CN disclosed