SCHEMBL7637313

SCHEMBL7637313

CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CC=C3OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARA P10276 18/20 0.43
RARB P10826 18/20 0.43
RARG P13631 18/20 0.43
CYP3A4 P08684 2/20 0.41
KMT2A Q03164 1/20 0.41
PDK2 Q15119 1/20 0.38
CYP26A1 O43174 1/20 0.38
CRABP2 P29373 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6239862 0.93 RARA (0.49) RARARARBRARGCYP3A4KMT2A
SCHEMBL6240892 0.83 ACHE (0.43) RARARARBRARGKMT2APDK2
SCHEMBL6240887 0.83 ACHE (0.43) RARARARBRARGKMT2APDK2
SCHEMBL8772615 0.83 RARA (0.45) RARARARBRARGCYP3A4KMT2A
SCHEMBL8016184 0.83 RXRA (0.42) RARARARBRARGKMT2APDK2
SCHEMBL8331635 0.82 PDK2 (0.46) RARARARBRARGPDK2
SCHEMBL7637519 0.81 RARA (0.50) RARARARBRARGCYP3A4KMT2A
SCHEMBL7800461 0.81 RARB (0.61) RARARARBRARGCYP3A4CYP26A1
SCHEMBL8331156 0.81 PDK2 (0.37) RARARARBRARGKMT2APDK2
SCHEMBL6234971 0.80 PDK2 (0.38) RARARARBRARGCYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355806-B1 REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION, AGENTS FOR TREATING SKIN-RELATED DISEASES ALLERGEN SALES, INC. 2002-03-12 US disclosed
US-5998471-A SKIN DISORDERS; ANTIINFLAMMATORY AGENTS ALLERGAN SALES, INC. (US) 1999-12-07 US disclosed
US-5808083-A Acetylenes disubstituted with a 5 alkyl, aryl or heteroaryl substituted dihydronaphthyl group and with an aryl or heteroaryl group having retinoid-like biological activity ALLERGAN (US) 1998-09-15 US disclosed
EP-0800517-A1 ACETYLENES DISUBSTITUTED WITH A 5 OR 8 SUBSTITUTED TETRAHYDRONAPHTHYL OR DIHYDRONAPHTHYL GROUP AND WITH AN ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan (US) 1997-10-15 EP disclosed
US-5648514-A Substituted acetylenes having retinoid-like biological activity ALLERGAN (US) 1997-07-15 US disclosed
US-5618931-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS ALLERGAN 1997-04-08 US disclosed
WO-1996020930-A1 ACETYLENES DISUBSTITUTED WITH A 5 OR 8 SUBSTITUTED TETRAHYDRONAPHTHYL OR DIHYDRONAPHTHYL GROUP AND WITH AN ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-07-11 WO disclosed