SCHEMBL7928575

SCHEMBL7928575

COC(=O)c1ccc(C#CC(O)c2cc3c(cc2OCOC(C)OC)C(C)(C)CCC3(C)C)cc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.34
CYP3A4 P08684 4/20 0.34
HNF4A P41235 4/20 0.34
RARG P13631 5/20 0.33
CYP26A1 O43174 4/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
RARA P10276 2/20 0.31
RARB P10826 2/20 0.31
CRABP2 P29373 1/20 0.31
PPARG P37231 1/20 0.31
ACACB O00763 1/20 0.31
CYP26B1 Q9NR63 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL7753438 0.92 RARG (0.38) RXRACYP3A4HNF4ARARGCYP26A1
SCHEMBL7928580 0.87 RARG (0.45) RXRACYP3A4HNF4ARARGCYP26A1
SCHEMBL7714841 0.87 RXRA (0.39) RXRACYP3A4HNF4ARARGCYP26A1
SCHEMBL7928578 0.83 RXRA (0.34) RXRACYP3A4HNF4ARARGCYP26A1
SCHEMBL7713138 0.83 RXRA (0.39) RXRACYP3A4RARGCYP26A1CA12
SCHEMBL7928405 0.80 RARG (0.51) RXRACYP3A4HNF4ARARGCYP26A1
SCHEMBL7709232 0.78 RXRA (0.45) RXRACYP3A4HNF4ARARGCYP26A1
SCHEMBL7714935 0.76 RARB (0.42) RXRACYP3A4RARGCYP26A1CA12
SCHEMBL7753439 0.76 RXRA (0.39) RXRACYP3A4HNF4ARARGCYP26A1
SCHEMBL9091280 0.73 EPHX2 (0.40) RARGRARARARB

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-6313162-B1 FOR USE IN HUMAN OR VETERINARY MEDICINE SUCH AS DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR AND OPHHALMOLOGICAL DISORDERS; AND IN COSMETICS CENTRE INTERNATIONAL DE RECHERCHE DERMATOLOGIQUES GALDERMA (C.I.R.D.) GALDERMA (FR) 2001-11-06 US disclosed
US-6046220-A ADMINISTERING TO THE PATIENT A PROPYNYL OR DIENYL BIAROMATIC COMPOUND TO TREAT A SKIN DISORDER, INFLAMMATORY CONDITIONS, VISION DEFECTS, ALOPECIA, CARDIOVASCULAR DISORDER, CANCER OR PRECANCER AND INSULIN DEPENDANT DIABETES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-04-04 US disclosed