SCHEMBL7753396

SCHEMBL7753396

CC(O)N(OC(=O)c1ccc(C#CCc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1O)C(C)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 5/20 0.39
CYP3A4 P08684 4/20 0.39
RARA P10276 4/20 0.39
RARB P10826 3/20 0.39
RARG P13631 3/20 0.39
CRABP2 P29373 1/20 0.39
PPARG P37231 4/20 0.37
RXRA P19793 6/20 0.36
RXRB P28702 3/20 0.36
RXRG P48443 2/20 0.36
CYP26B1 Q9NR63 4/20 0.35

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
SCHEMBL7752278 0.85 CYP3A4 (0.44) CYP26A1CYP3A4RARARARBRARG
SCHEMBL6378170 0.82 RARB (0.52) CYP26A1CYP3A4RARARARBRARG
SCHEMBL7751295 0.81 RARB (0.51) CYP26A1CYP3A4RARARARBRARG
Lithium Ion SCHEMBL7751288 0.80 CYP26A1 (0.44) CYP26A1CYP3A4RARARARBRARG
SCHEMBL7751252 0.79 CYP26A1 (0.44) CYP26A1CYP3A4RARARARBRARG
SCHEMBL7751276 0.75 RARB (0.42) CYP26A1CYP3A4RARARARBRARG
Diethanolamine SCHEMBL7753391 0.75 RARB (0.45) CYP26A1CYP3A4RARARARBRARG
SCHEMBL7753400 0.75 RARG (0.43) CYP26A1CYP3A4RARARARBRARG
SCHEMBL7936336 0.74 PDK2 (0.37) CYP26A1CYP3A4RARARARBRARG
SCHEMBL7746475 0.73 RARG (0.55) CYP26A1CYP3A4RARARARBRARG

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 4 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 claimed
EP-0832057-B1 DIAROMATIC PROPYNYL OR DIENYL COMPOUNDS CT INTERNAT DE (FR) 2001-01-03 EP claimed
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