SCHEMBL7751241

SCHEMBL7751241

CC1(C)CCC(C)(C)c2cc(CC#Cc3ccc(CO)cc3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 6/20 0.48
RARB P10826 6/20 0.48
RARG P13631 6/20 0.48
RARA P10276 5/20 0.48
CYP3A4 P08684 2/20 0.48
CRABP2 P29373 1/20 0.48
RXRA P19793 6/20 0.45
RXRB P28702 3/20 0.45
RXRG P48443 2/20 0.45
CYP26B1 Q9NR63 5/20 0.43
PPARG P37231 3/20 0.40

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
SCHEMBL7746076 0.89 CYP26A1 (0.48) CYP26A1RARBRARGRARACYP3A4
SCHEMBL7746459 0.87 CYP26A1 (0.46) CYP26A1RARBRARGRARACYP3A4
SCHEMBL9484092 0.87 RARB (0.62) CYP26A1RARBRARGRARACYP3A4
Methyl Alcohol SCHEMBL7752255 0.86 CYP26A1 (0.48) CYP26A1RARBRARGRARACYP3A4
SCHEMBL7751276 0.84 RARB (0.42) CYP26A1RARBRARGRARACYP3A4
SCHEMBL6372002 0.84 RARB (0.71) CYP26A1RARBRARGRARACYP3A4
SCHEMBL7752077 0.83 RARB (0.55) CYP26A1RARBRARGRARACYP3A4
SCHEMBL7928437 0.83 RARB (0.55) CYP26A1RARBRARGRARACYP3A4
SCHEMBL7751953 0.82 RARB (0.45) CYP26A1RARBRARGRARACYP3A4
SCHEMBL2095481 0.81 RXRA (0.57) CYP26A1RARBRARGRARACYP3A4

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