SCHEMBL7753397

SCHEMBL7753397

CC1(C)CCSc2ccc(CC#Cc3ccc(C(=O)O)c(O)c3)cc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.50
RARG P13631 13/20 0.50
RARA P10276 12/20 0.50
CYP3A4 P08684 3/20 0.50
CYP26A1 O43174 2/20 0.50
RXRA P19793 6/20 0.44
KMT2A Q03164 1/20 0.44
SSTR5 P35346 1/20 0.41
CRABP2 P29373 1/20 0.37
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
PPARA Q07869 1/20 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
SCHEMBL19342986 0.88 RARB (0.62) RARBRARGRARACYP3A4CYP26A1
SCHEMBL6378170 0.85 RARB (0.52) RARBRARGRARACYP3A4CYP26A1
SCHEMBL7751295 0.84 RARB (0.51) RARBRARGRARACYP3A4CYP26A1
SCHEMBL7713111 0.82 CYP3A4 (0.55) RARBRARGRARACYP3A4CYP26A1
SCHEMBL7751144 0.81 RXRA (0.40) RARBRARGRARACYP3A4CYP26A1
SCHEMBL6341267 0.80 RARB (0.42) RARBRARGRARACYP3A4CYP26A1
SCHEMBL7713266 0.80 RARA (0.51) RARBRARGRARACYP3A4CYP26A1
SCHEMBL19342965 0.78 RARB (0.61) RARBRARGRARACYP3A4CYP26A1
SCHEMBL7937368 0.78 RXRA (0.40) RARBRARGRARACYP3A4CYP26A1
Diethanolamine SCHEMBL7753391 0.78 RARB (0.45) RARBRARGRARACYP3A4CYP26A1

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