SCHEMBL7656345

SCHEMBL7656345

CCCCCCc1cc2c(cc1C#Cc1ccc(C(=O)OCC)cc1)C(CC)(CC)CCS2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.45
RARG P13631 4/20 0.45
RARA P10276 4/20 0.45
CYP3A4 P08684 2/20 0.45
KMT2A Q03164 1/20 0.45
CYP26A1 O43174 1/20 0.33
PRKCA P17252 3/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCD Q05655 1/20 0.33
MMP13 P45452 1/20 0.33
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 2/20 0.31
NOD2 Q9HC29 1/20 0.31

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
SCHEMBL7655974 0.93 RARA (0.48) RARBRARGRARACYP3A4KMT2A
SCHEMBL9817738 0.91 RARB (0.55) RARBRARGRARACYP3A4KMT2A
SCHEMBL7655154 0.90 RARA (0.50) RARBRARGRARACYP3A4KMT2A
SCHEMBL8676360 0.88 FDFT1 (0.36) RARBRARGRARACYP3A4KMT2A
SCHEMBL7660328 0.88 CYP3A4 (0.56) RARBRARGRARACYP3A4KMT2A
SCHEMBL8668889 0.87 CYP4F2 (0.36) RARBRARGRARACYP3A4KMT2A
SCHEMBL7657835 0.86 RARA (0.50) RARBRARGRARACYP3A4KMT2A
SCHEMBL7654470 0.83 MAPT (0.36) RARBRARGRARACYP3A4KMT2A
SCHEMBL9817808 0.83 RARB (0.58) RARBRARGRARACYP3A4KMT2A
SCHEMBL7651593 0.82 RARA (0.63) RARBRARGRARACYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6344463-B1 SKIN DISORDERS, ACNE ALLERGAN SALES, INC. 2002-02-05 US disclosed
EP-0636127-B1 Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity ALLERGAN INC (US) 2001-04-04 EP disclosed
US-6090826-A Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity ALLERGAN SALES, INC. (US) 2000-07-18 US disclosed
US-5750693-A THIOCHROMANYL OR CHROMANYL COMPOUNDS AS ANTICARCINOGINIC AGENTS, SKIN DISORDERS AND ATHEROSCLEROSIS ALLERGAN (US) 1998-05-12 US disclosed
US-5677451-A CONTROLLING CELL DIFFERENTIATION; SKIN DISORDERS; ANTICANCER AGENTS ALLERGAN (US) 1997-10-14 US disclosed
US-5663347-A REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION; TREATMENT OF SKIN DISORDERS; ANTICARCINOGNIC AGENTS ALLERGAN (US) 1997-09-02 US disclosed
US-5468879-A Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity ALLERGAN, INC. (US) 1995-11-21 US disclosed
EP-0636127-A1 DISUBSTITUTED ACETYLENES BEARING HETEROBICYCLIC GROUPS AND HETEROAROMATIC OR PHENYL GROUPS HAVING RETINOID LIKE ACTIVITY ALLERGAN, INC. (US) 1995-02-01 EP disclosed
US-5264578-A Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity ALLERGAN, INC. (US) 1993-11-23 US disclosed
WO-1993016068-A1 DISUBSTITUTED ACETYLENES BEARING HETEROBICYCLIC GROUPS AND HETEROAROMATIC OR PHENYL GROUPS HAVING RETINOID LIKE ACTIVITY ALLERGAN, INC. (US) 1993-08-19 WO disclosed