SCHEMBL7746407

SCHEMBL7746407

CC1(C)CCC(C)(C)c2cc(C#CCc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.76
RARG P13631 9/20 0.76
RARA P10276 6/20 0.76
CYP26A1 O43174 2/20 0.76
CYP3A4 P08684 2/20 0.76
CRABP2 P29373 1/20 0.76
RXRA P19793 13/20 0.64
RXRB P28702 10/20 0.64
RXRG P48443 6/20 0.64
CYP26B1 Q9NR63 1/20 0.55

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 0.92 RARB (0.71) RARBRARGRARACYP26A1CYP3A4
SCHEMBL29353973 0.86 RARB (1.00) RARBRARGRARACYP26A1CYP3A4
SCHEMBL3302926 0.86 RARB (1.00) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7746475 0.83 RARG (0.55) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7715323 0.82 RARB (0.80) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7752077 0.81 RARB (0.55) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7928437 0.81 RARB (0.55) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6378170 0.81 RARB (0.52) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7752262 0.80 RXRA (0.64) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7751295 0.80 RARB (0.51) RARBRARGRARACYP26A1CYP3A4

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