SCHEMBL8771635

SCHEMBL8771635

CC1CC(=O)c2cc(C(=O)O)ccc2C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.42
RXRA P19793 8/20 0.41
RARB P10826 7/20 0.40
RARG P13631 6/20 0.40
RXRB P28702 5/20 0.40
RARA P10276 4/20 0.40
RXRG P48443 4/20 0.40
CYP26A1 O43174 1/20 0.40
CYP26B1 Q9NR63 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
GRM1 Q13255 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 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
SCHEMBL485022 0.75 TDP2 (0.50) TDP2RXRARARBRARGRXRB
SCHEMBL6292577 0.73 RARB (0.51) RXRARARBRARGRXRBRARA
SCHEMBL8771776 0.71 RARB (0.43) TDP2RXRARARBRARGRXRB
SCHEMBL8771792 0.70 CA12 (0.40) TDP2RXRARARBRARGRXRB
SCHEMBL23617815 0.69 ACHE (0.60) TDP2TDP1KDM4EMAPTALDH1A1
SCHEMBL11864151 0.68 ALDH1A1 (0.47) TDP2TDP1KDM4EALDH1A1POLB
SCHEMBL8771867 0.68 RARB (0.46) RXRARARBRARGRARAALDH1A1
SCHEMBL8771910 0.66 TDP2 (0.43) TDP2RXRARARBRARGRXRB
SCHEMBL15890863 0.66 NOTUM (0.46) KDM4EMAPTPOLBCYP2C19
SCHEMBL15890864 0.66 NOTUM (0.46) KDM4EMAPTPOLBCYP2C19

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