SCHEMBL7928405

SCHEMBL7928405

COCCOCOc1cc2c(cc1C(O)C#Cc1ccc(C(=O)O)c(O)c1)C(C)(C)CCC2(C)C

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARG P13631 11/20 0.51
RARA P10276 2/20 0.47
RARB P10826 2/20 0.47
RXRA P19793 7/20 0.38
HNF4A P41235 4/20 0.38
CYP26A1 O43174 1/20 0.36
CYP3A4 P08684 1/20 0.36
CRABP2 P29373 1/20 0.36

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
SCHEMBL7928580 0.92 RARG (0.45) RARGRARARARBRXRAHNF4A
SCHEMBL7753438 0.87 RARG (0.38) RARGRARARARBRXRAHNF4A
SCHEMBL7709232 0.87 RXRA (0.45) RARGRARARARBRXRAHNF4A
SCHEMBL7753439 0.80 RXRA (0.39) RARGRARARARBRXRAHNF4A
SCHEMBL7928575 0.80 RXRA (0.34) RARGRARARARBRXRAHNF4A
SCHEMBL7709299 0.79 RXRA (0.46) RARGRARARARBRXRACYP26A1
SCHEMBL7714841 0.79 RXRA (0.39) RARGRARARARBRXRAHNF4A
SCHEMBL3062988 0.75 RXRA (0.36) RARGRARARARBRXRAHNF4A
SCHEMBL6159273 0.74 RARB (0.50) RARGRARARARBRXRACYP26A1
SCHEMBL6260318 0.74 RARB (0.50) RARGRARARARBRXRACYP26A1

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