SCHEMBL8436552

SCHEMBL8436552

COC(=O)c1ccc(-c2ccc3cc4c(cc3c2)CCCC4(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.55
RARG P13631 6/20 0.55
RARA P10276 5/20 0.55
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 2/20 0.46
CYP3A4 P08684 3/20 0.44
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP19A1 P11511 1/20 0.41
CYP26A1 O43174 2/20 0.41
PLAU P00749 1/20 0.40
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 2/20 0.39
EGFR P00533 1/20 0.39
ERN1 O75460 1/20 0.39

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
SCHEMBL8438543 0.81 RARB (0.54) RARBRARGRARACYP3A4CYP11B1
SCHEMBL6905554 0.79 RXRA (0.59) RARBRARGRARARXRARXRB
SCHEMBL6908129 0.79 RXRA (0.59) RARBRARGRARARXRARXRB
SCHEMBL6905696 0.77 RXRA (0.77) RARBRARGRARARXRARXRB
SCHEMBL6906120 0.77 RXRA (0.77) RARBRARGRARARXRARXRB
SCHEMBL9007209 0.77 RARB (0.71) RARBRARGRARARXRARXRB
SCHEMBL9318900 0.76 RXRA (0.56) RARBRARGRARARXRARXRB
SCHEMBL18775432 0.75 RARB (0.73) RARBRARGRARARXRARXRB
SCHEMBL8438614 0.74 KDM1A (0.49) RXRARXRBRXRGSLC6A2SLC6A3
SCHEMBL17327788 0.74 RARA (0.67) RARBRARGRARARXRACYP3A4

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