SCHEMBL8771889

SCHEMBL8771889

CC1(C)C=C(c2ccccc2)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 12/20 0.61
RARB P10826 11/20 0.61
RARG P13631 9/20 0.61
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
CYP26A1 O43174 3/20 0.54
CYP3A4 P08684 3/20 0.54
PGR P06401 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
TBXA2R P21731 1/20 0.54
BLVRB P30043 1/20 0.54
FABP1 P07148 1/20 0.48
P2RY14 Q15391 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
FFAR1 O14842 1/20 0.47

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
SCHEMBL4653413 0.93 RARA (0.71) RARARARBRARGKMT2AMEN1
SCHEMBL8771705 0.90 PTPN1 (0.55) RARARARBRARGKMT2AMEN1
SCHEMBL17275573 0.83 RARB (0.50) RARARARBRARGKMT2AALDH1A1
SCHEMBL4652336 0.83 RARA (0.88) RARARARBRARGKMT2AMEN1
SCHEMBL8771636 0.83 RARA (0.58) RARARARBRARGKMT2AMEN1
SCHEMBL4653408 0.79 RARB (0.69) RARARARBRARGRXRANR2E1
SCHEMBL4653407 0.79 RARB (0.69) RARARARBRARGRXRANR2E1
SCHEMBL4653505 0.77 RXRA (0.53) RARARARBRARGRXRANR2E1
SCHEMBL8771689 0.76 PDK2 (0.49) RARARARBRARGKMT2AMEN1
SCHEMBL4757231 0.76 RARA (1.00) RARARARBRARGKMT2AMEN1

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 5 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 claimed
US-5618839-A Retinoid-like compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-08 US claimed
CN-1144217-A Retinoid-like compounds BRISTOL MYERS SQUIBB CO (US) 1997-03-05 CN claimed
EP-0661259-A1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-05 EP claimed
US-5618839-A Retinoid-like compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-08 US disclosed