SCHEMBL727818

SCHEMBL727818

CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(=O)CC(C)(C)S3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
KMT2A Q03164 2/20 0.46
RARA P10276 1/20 0.46
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46
PRKCA P17252 7/20 0.42
PRKCG P05129 1/20 0.42
PRKCB P05771 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCD Q05655 1/20 0.42
MAPK1 P28482 1/20 0.41
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B2 P37059 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ESR1 P03372 1/20 0.38

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
SCHEMBL6591370 0.90 KMT2A (0.41) CYP3A4KMT2ARARARARBRARG
SCHEMBL6595226 0.88 CYP3A4 (0.63) CYP3A4KMT2ARARARARBRARG
SCHEMBL6589030 0.88 PRKCA (0.39) CYP3A4KMT2ARARARARBRARG
SCHEMBL6591091 0.86 KMT2A (0.38) CYP3A4KMT2ARARARARBRARG
SCHEMBL3627617 0.84 RARB (0.52) CYP3A4RARARARBRARG
SCHEMBL8558273 0.79 RARA (0.56) CYP3A4KMT2ARARARARBRARG
SCHEMBL6591210 0.78 ALDH1A1 (0.56) CYP3A4KMT2ARARARARBRARG
SCHEMBL9007075 0.77 RARB (0.49) CYP3A4KMT2ARARARARBRARG
SCHEMBL5960214 0.77 RARB (0.35) CYP3A4KMT2ARARARARBRARG
SCHEMBL8333538 0.75 RARB (0.46) CYP3A4RARARARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4738738-B2 2011-08-03 JP claimed
EP-1576089-A4 EXPANSION OF RENEWABLE STEM CELL POPULATIONS GAMIDA CELL LTD (IL) 2007-02-14 EP claimed
EP-1485464-A4 METHODS OF INDUCING DIFFERENTIATION IN EX VIVO EXPANDED STEM CELLS GAMIDA CELL LTD (IL) 2006-11-29 EP claimed
US-20050220774-A1 Methods of inducing differentiation in ex vivo expanded stem cells GAMIDA CELL LTD. (IL) 2005-10-06 US claimed
JP-2005528088-A 2005-09-22 JP claimed
EP-1576089-A2 EXPANSION OF RENEWABLE STEM CELL POPULATIONS Gamida Cell Ltd. (IL) 2005-09-21 EP claimed
EP-1534820-A2 EX-VIVO EXPANSION OF HEMATOPOIETIC STEM CELL POPULATIONS IN MONONUCLEAR CELL CULTURES Gamida Cell Ltd. (IL) 2005-06-01 EP claimed
US-20050008624-A1 Expansion of renewable stem cell populations GAMIDA CELL LTD. 2005-01-13 US claimed
EP-1485464-A2 METHODS OF INDUCING DIFFERENTIATION IN EX VIVO EXPANDED STEM CELLS Gamida Cell Ltd. (IL) 2004-12-15 EP claimed
WO-2004016731-A2 EX-VIVO EXPANSION OF HEMATOPOIETIC STEM CELL POPULATIONS IN MONONUCLEAR CELL CULTURES GAMIDA-CELL LTD. (IL) 2004-02-26 WO claimed
WO-2003078567-A2 METHODS OF INDUCING DIFFERENTIATION IN EX VIVO EXPANDED STEM CELLS GAMIDA-CELL LTD. (IL) 2003-09-25 WO claimed
WO-2003062369-A2 EXPANSION OF RENEWABLE STEM CELL POPULATIONS GAMIDA-CELL LTD. (IL) 2003-07-31 WO claimed
EP-2026778-B1 RAR ANTAGONIST OR INVERSE AGONIST FOR USE IN THE TREATMENT OF CHEMOTHERAPY AND/OR RADIATION THERAPY SIDE EFFECTS IO THERAPEUTICS LLC (US) 2018-11-14 EP disclosed
US-20180320139-A1 EXPANSION OF RENEWABLE STEM CELL POPULATIONS GAMIDA CELL INC. 2018-11-08 US disclosed
US-20160097037-A1 EXPANSION OF RENEWABLE STEM CELL POPULATIONS GAMIDA CELL LTD. 2016-04-07 US disclosed
US-9271946-B2 Use of a RAR antagonist or inverse agonist for the treatment of chemotherapy and/or radiation therapy side effects Io Therapeutics, Inc. (US) 2016-03-01 US disclosed
EP-1042313-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST LIKE ACTIVITY Allergan Sales, Inc. (US) 2000-10-11 EP disclosed
WO-2000019990-A2 RAR ANTAGONISTS AS MALE ANTI-FERTILITY AGENTS ALLERGAN SALES, INC. (US) 2000-04-13 WO disclosed
US-5958954-A 2,2-DIALKYL-4-ARYL-SUBSTITUTED BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES ALLERGAN SALES, INC. (US) 1999-09-28 US disclosed
WO-1999033821-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST-LIKE ACTIVITY ALLERGAN SALES, INC. (US) 1999-07-08 WO disclosed