SCHEMBL7928580

SCHEMBL7928580

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARG P13631 10/20 0.45
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
CYP3A4 P08684 3/20 0.34
HNF4A P41235 3/20 0.34
RXRA P19793 2/20 0.34
PPARG P37231 2/20 0.33
CYP26A1 O43174 2/20 0.33

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
SCHEMBL7928405 0.92 RARG (0.51) RARGRARARARBCYP3A4HNF4A
SCHEMBL7714841 0.87 RXRA (0.39) RARGRARARARBCYP3A4HNF4A
SCHEMBL7928575 0.87 RXRA (0.34) RARGRARARARBCYP3A4HNF4A
SCHEMBL7713138 0.82 RXRA (0.39) RARGRARARARBCYP3A4RXRA
SCHEMBL7928578 0.81 RXRA (0.34) RARGRARARARBCYP3A4HNF4A
SCHEMBL7753438 0.80 RARG (0.38) RARGRARARARBCYP3A4HNF4A
SCHEMBL7709232 0.79 RXRA (0.45) RARGRARARARBCYP3A4HNF4A
SCHEMBL7714935 0.77 RARB (0.42) RARGRARARARBCYP3A4RXRA
SCHEMBL19342969 0.73 RARB (0.56) RARGRARARARBCYP3A4RXRA
SCHEMBL7753439 0.73 RXRA (0.39) RARGRARARARBCYP3A4HNF4A

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