SCHEMBL8438952

SCHEMBL8438952

COC(=O)c1ccc(-c2ccc3cc4c(cc3c2)C(c2ccco2)=CCC4(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.56
RARA P10276 10/20 0.56
RARG P13631 10/20 0.56
KMT2A Q03164 1/20 0.38
PTGS1 P23219 1/20 0.37
EGFR P00533 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
NR4A2 P43354 1/20 0.36
PLAU P00749 1/20 0.36
RXRA P19793 1/20 0.36
NR2E1 Q9Y466 1/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL8711247 0.89 RARB (0.70) RARBRARARARGRXRANR2E1
SCHEMBL8437231 0.85 RARB (0.66) RARBRARARARGKMT2ACYP11B1
SCHEMBL6907265 0.82 RARB (0.64) RARBRARARARGEGFRCYP19A1
SCHEMBL8709424 0.81 RARB (0.63) RARBRARARARGRXRANR2E1
SCHEMBL8709650 0.80 CYP11B2 (0.58) RARBRARARARGCYP19A1CYP11B1
SCHEMBL8709506 0.76 RARB (0.80) RARBRARARARGRXRANR2E1
SCHEMBL8705923 0.76 RARA (0.51) RARBRARARARGKMT2AEGFR
SCHEMBL8706490 0.74 RARB (0.85) RARBRARARARGRXRANR2E1
SCHEMBL8434524 0.74 RARA (0.49) RARBRARARARGKMT2AEGFR
SCHEMBL8705921 0.74 RARA (0.48) RARBRARARARGEGFRCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5945561-A ANTIINFLAMMATORY AGENT, RHEUMATIC DISORDERS, SKIN DISORDERS,ANTISCARRING AGENT BRISTOL-MYERS SQUIBB COMPANY (US) 1999-08-31 US disclosed
WO-1998049136-A1 RETINOID-LIKE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-11-05 WO disclosed