SCHEMBL7752262

SCHEMBL7752262

Cc1cc2c(cc1CC#Cc1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 18/20 0.64
RARB P10826 5/20 0.61
RARG P13631 5/20 0.61
RARA P10276 4/20 0.61
CYP26A1 O43174 2/20 0.61
CYP3A4 P08684 1/20 0.61
CRABP2 P29373 1/20 0.61
RXRB P28702 8/20 0.55
RXRG P48443 8/20 0.55
MEN1 O00255 1/20 0.53
ABCB11 O95342 1/20 0.53
ESR1 P03372 1/20 0.53
PGR P06401 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD1 P21728 1/20 0.53
TBXA2R P21731 1/20 0.53
SLC6A2 P23975 1/20 0.53

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
SCHEMBL6372002 0.82 RARB (0.71) RXRARARBRARGRARACYP26A1
SCHEMBL6341002 0.81 RARB (0.54) RXRARARBRARGRARACYP26A1
SCHEMBL7752052 0.80 RXRA (0.51) RXRARARBRARGRARACYP26A1
SCHEMBL7746407 0.80 RARB (0.76) RXRARARBRARGRARACYP26A1
SCHEMBL9487042 0.80 RARB (0.67) RXRARARBRARGRARACYP26A1
SCHEMBL9483542 0.80 RARB (0.71) RXRARARBRARGRARACYP26A1
SCHEMBL6339573 0.78 RARB (0.49) RXRARARBRARGRARACYP26A1
SCHEMBL6889150 0.78 RXRA (1.00) RXRARARBRARGRARACYP26A1
SCHEMBL6338628 0.78 RARB (0.53) RXRARARBRARGRARACYP26A1
SCHEMBL29353973 0.76 RARB (1.00) RXRARARBRARGRARACYP26A1

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 5 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-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 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