SCHEMBL8771899

SCHEMBL8771899

CC1(C)CCC(=O)c2cc(NS(=O)(=O)Cc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.50
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
CYP26A1 O43174 7/20 0.44
RARA P10276 4/20 0.43
RARB P10826 4/20 0.43
RARG P13631 4/20 0.43
CYP3A4 P08684 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
PGR P06401 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
TBXA2R P21731 1/20 0.43
BLVRB P30043 1/20 0.43

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
SCHEMBL8771850 0.85 CYP26A1 (0.47) RXRARXRBRXRGCYP26A1RARA
SCHEMBL8771779 0.79 RARB (0.69) RXRARXRBRXRGCYP26A1RARA
SCHEMBL8981652 0.77 RARA (0.69) RXRARXRBRXRGCYP26A1RARA
SCHEMBL6292577 0.77 RARB (0.51) RXRARXRBRXRGCYP26A1RARA
SCHEMBL7640552 0.74 RARB (0.67) CYP26A1RARARARBRARGCYP3A4
SCHEMBL8771700 0.73 RXRA (0.67) RXRARXRBRXRGCYP26A1RARA
SCHEMBL6236585 0.72 RARB (0.67) RXRARXRBRXRGCYP26A1RARA
SCHEMBL6759491 0.72 RARB (0.67) RXRARXRBRXRGCYP26A1RARA
SCHEMBL6236579 0.72 RARB (0.67) RXRARXRBRXRGCYP26A1RARA
SCHEMBL21777651 0.70 HPGD (0.81) MEN1KMT2AALDH1A1PGRHPGD

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