SCHEMBL8438543

SCHEMBL8438543

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.54
RARG P13631 10/20 0.54
RARA P10276 9/20 0.54
CYP3A4 P08684 3/20 0.43
EGFR P00533 1/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CYP19A1 P11511 1/20 0.40
CYP26A1 O43174 2/20 0.40
PLAU P00749 2/20 0.39
ERN1 O75460 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL8436552 0.81 RARB (0.55) RARBRARGRARACYP3A4EGFR
SCHEMBL6292717 0.79 CYP3A4 (0.48) RARBRARGRARACYP3A4CYP26A1
SCHEMBL8713153 0.76 GSTP1 (0.43) RARBRARGRARACYP3A4
SCHEMBL6423981 0.76 RARB (0.68) RARBRARGRARACYP26A1
SCHEMBL8437231 0.76 RARB (0.66) RARBRARGRARACYP11B1CYP11B2
SCHEMBL6294335 0.76 RARA (0.48) RARBRARGRARACYP26A1SLC6A2
SCHEMBL6814372 0.75 RXRA (0.49) RARBRARGRARACYP3A4CYP26A1
SCHEMBL8705923 0.75 RARA (0.51) RARBRARGRARACYP3A4EGFR
SCHEMBL8688333 0.74 RARG (0.56) RARBRARGRARACYP3A4CYP11B1
SCHEMBL18775432 0.74 RARB (0.73) RARBRARGRARACYP3A4CYP11B1

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