SCHEMBL8771890

SCHEMBL8771890

COC(=O)c1ccc(C=Cc2ccc3c(c2)C(c2ccccc2)=CC3(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.55
RARB P10826 2/20 0.55
RARG P13631 2/20 0.55
RXRA P19793 1/20 0.55
NR2E1 Q9Y466 1/20 0.55
PTPN1 P18031 3/20 0.49
EGFR P00533 1/20 0.44
CDC25B P30305 2/20 0.43
PTPRC P08575 1/20 0.43
PTPRF P10586 1/20 0.43
VDR P11473 3/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
TSHR P16473 1/20 0.41
LMNA P02545 4/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 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
SCHEMBL8771880 1.00 RARA (0.55) RARARARBRARGRXRANR2E1
SCHEMBL4653407 0.88 RARB (0.69) RARARARBRARGRXRANR2E1
SCHEMBL4653408 0.88 RARB (0.69) RARARARBRARGRXRANR2E1
SCHEMBL8771689 0.88 PDK2 (0.49) RARARARBRARGRXRANR2E1
SCHEMBL8026108 0.83 RARA (0.80) RARARARBRARGRXRANR2E1
SCHEMBL8771636 0.82 RARA (0.58) RARARARBRARGPTPN1NPC1
SCHEMBL8771705 0.82 PTPN1 (0.55) RARARARBRARGPTPN1NPC1
SCHEMBL8771810 0.79 KMT2A (0.48) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL17275573 0.77 RARB (0.50) RARARARBRARGRXRANR2E1
SCHEMBL7532838 0.77 EGFR (0.60) PTPN1EGFRNPC1RAB9ATSHR

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