SCHEMBL8771636

SCHEMBL8771636

COC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(c2ccccc2)=CC3(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.58
RARB P10826 4/20 0.58
RARG P13631 4/20 0.58
PTPN1 P18031 1/20 0.55
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
PKM P14618 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
PLAU P00749 4/20 0.48
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL8771705 0.93 PTPN1 (0.55) RARARARBRARGPTPN1KMT2A
SCHEMBL4653413 0.90 RARA (0.71) RARARARBRARGKMT2AMEN1
SCHEMBL8771689 0.88 PDK2 (0.49) RARARARBRARGPTPN1KMT2A
SCHEMBL8771889 0.83 RARA (0.61) RARARARBRARGKMT2AMEN1
SCHEMBL8771880 0.82 RARA (0.55) RARARARBRARGPTPN1KMT2A
SCHEMBL8771890 0.82 RARA (0.55) RARARARBRARGPTPN1KMT2A
SCHEMBL17275573 0.78 RARB (0.50) RARARARBRARGKMT2AALDH1A1
SCHEMBL8771810 0.78 KMT2A (0.48) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL27462421 0.78 RARA (0.72) RARARARBRARGPTPN1KMT2A
SCHEMBL2835618 0.75 PTPN1 (0.94) PTPN1KMT2ASMN1; SMN2MEN1NPC1

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