SCHEMBL7520074

SCHEMBL7520074

COC(=O)c1ccc(C2(c3ccc4c(c3)C(C)(C)CCC4(C)C)OCC(C)O2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.54
CYP26A1 O43174 8/20 0.54
RXRB P28702 8/20 0.54
CYP26B1 Q9NR63 5/20 0.54
CYP3A4 P08684 4/20 0.49
RXRG P48443 5/20 0.42
RARA P10276 3/20 0.40
RARB P10826 3/20 0.40
RARG P13631 2/20 0.40
PPARG P37231 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
SCHEMBL8608030 0.84 RXRA (0.75) RXRACYP26A1RXRBCYP26B1CYP3A4
SCHEMBL8702754 0.82 RXRA (0.76) RXRACYP26A1RXRBCYP26B1CYP3A4
SCHEMBL7458443 0.82 RXRA (0.61) RXRACYP26A1RXRBCYP26B1CYP3A4
SCHEMBL8707418 0.76 RXRA (0.72) RXRACYP26A1RXRBCYP26B1CYP3A4
SCHEMBL2788640 0.74 CYP3A4 (0.70) RXRACYP26A1RXRBCYP26B1CYP3A4
SCHEMBL8708782 0.73 RXRA (0.74) RXRACYP26A1RXRBCYP26B1CYP3A4
SCHEMBL8706548 0.72 RXRA (0.78) RXRACYP26A1RXRBCYP26B1CYP3A4
SCHEMBL7421190 0.72 RXRA (0.72) RXRACYP26A1RXRBCYP26B1CYP3A4
SCHEMBL9319204 0.72 CYP3A4 (0.67) RXRACYP26A1RXRBCYP26B1CYP3A4
SCHEMBL3794870 0.72 RXRA (0.43) RXRACYP26A1RXRBCYP26B1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1003493-A4 USE OF SELECTIVE RXR AGONISTS TO PREVENT SURGICAL ADHESIONS BRISTOL MYERS SQUIBB CO (US) 2002-03-27 EP disclosed
EP-1003493-A1 USE OF SELECTIVE RXR AGONISTS TO PREVENT SURGICAL ADHESIONS Bristol-Myers Squibb Company (US) 2000-05-31 EP disclosed
WO-1999006036-A1 USE OF SELECTIVE RXR AGONISTS TO PREVENT SURGICAL ADHESIONS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-02-11 WO disclosed