SCHEMBL8710667

SCHEMBL8710667

COc1ccc2cc3c(cc2c1)C(c1ccccc1)=CCC3(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.53
RARB P10826 6/20 0.53
RARG P13631 6/20 0.53
RXRA P19793 1/20 0.47
NR2E1 Q9Y466 1/20 0.47
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CYP11B2 P19099 5/20 0.40
CYP11B1 P15538 4/20 0.40
PTPN1 P18031 1/20 0.39
ALOX5 P09917 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL8709506 0.79 RARB (0.80) RARARARBRARGRXRANR2E1
SCHEMBL8706490 0.77 RARB (0.85) RARARARBRARGRXRANR2E1
SCHEMBL8437231 0.76 RARB (0.66) RARARARBRARGRXRANR2E1
SCHEMBL4500355 0.72 RARA (0.50) RARARARBRARGRXRANR2E1
SCHEMBL8706064 0.72 RARB (0.69) RARARARBRARGRXRANR2E1
SCHEMBL6447980 0.71 RARB (0.49) RARARARBRARGRXRANR2E1
SCHEMBL6261635 0.71 RARB (0.57) RARARARBRARGRXRANR2E1
SCHEMBL4497879 0.70 RARB (0.48) RARARARBRARGRXRANR2E1
SCHEMBL8771695 0.70 RARB (0.48) RARARARBRARGRXRANR2E1
SCHEMBL8771694 0.70 RARB (0.56) RARARARBRARGRXRANR2E1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998049136-A1 RETINOID-LIKE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-11-05 WO disclosed