SCHEMBL8771776

SCHEMBL8771776

CC1CC(C)(C)c2ccc(C(=O)O)cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.43
RARG P13631 10/20 0.43
RARA P10276 7/20 0.43
CYP26A1 O43174 3/20 0.43
CYP26B1 Q9NR63 2/20 0.43
RXRA P19793 11/20 0.42
RXRB P28702 9/20 0.42
RXRG P48443 6/20 0.42
TDP2 O95551 1/20 0.42
AKR1B1 P15121 1/20 0.40
CYP3A4 P08684 2/20 0.40
CRABP2 P29373 1/20 0.40

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
SCHEMBL1071564 0.80 RXRA (0.46) RARBRARGRARACYP26A1CYP26B1
SCHEMBL6814070 0.79 RARB (0.41) RARBRARGRARACYP26A1RXRA
SCHEMBL6814457 0.77 PBRM1 (0.39) TDP2
SCHEMBL8632757 0.76 AKR1B1 (0.41) RARBRARGRARACYP26A1CYP26B1
SCHEMBL23617815 0.75 ACHE (0.60) TDP2
SCHEMBL485022 0.75 TDP2 (0.50) RARBRARGRARACYP26A1CYP26B1
SCHEMBL6292577 0.73 RARB (0.51) RARBRARGRARACYP26A1CYP26B1
SCHEMBL8903275 0.72 MAPT (0.41) RARBRARGRARACYP26A1RXRA
SCHEMBL4521166 0.71 OPRK1 (0.45)
SCHEMBL8771635 0.71 TDP2 (0.42) RARBRARGRARACYP26A1CYP26B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661259-B1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL MYERS SQUIBB CO (US) 1997-10-08 EP disclosed
US-5648385-A TREATING RHEUMATOID ARTHRITIS BRISTOL-MYERS SQUIBB CO. (US) 1997-07-15 US disclosed
US-5618839-A Retinoid-like compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-08 US disclosed
EP-0661259-A1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-05 EP disclosed