SCHEMBL7753454

SCHEMBL7753454

CCOC(=O)c1ccc(C#CCc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.53
RARB P10826 7/20 0.53
RARG P13631 4/20 0.53
CYP3A4 P08684 6/20 0.51
CYP26A1 O43174 5/20 0.51
CRABP2 P29373 1/20 0.51
RXRA P19793 4/20 0.48
RXRB P28702 3/20 0.48
RXRG P48443 2/20 0.48
KMT2A Q03164 1/20 0.46
CYP26B1 Q9NR63 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 2/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL7752098 0.87 RARB (0.46) RARARARBRARGCYP3A4CYP26A1
SCHEMBL9484975 0.87 RARB (0.67) RARARARBRARGCYP3A4CYP26A1
SCHEMBL6372002 0.84 RARB (0.71) RARARARBRARGCYP3A4CYP26A1
SCHEMBL7752077 0.83 RARB (0.55) RARARARBRARGCYP3A4CYP26A1
SCHEMBL7928437 0.83 RARB (0.55) RARARARBRARGCYP3A4CYP26A1
SCHEMBL8674523 0.82 RARA (0.56) RARARARBRARGCYP3A4CYP26A1
SCHEMBL7752015 0.82 CYP26A1 (0.51) RARARARBRARGCYP3A4CYP26A1
SCHEMBL7746406 0.81 CYP26A1 (0.53) RARARARBRARGCYP3A4CYP26A1
SCHEMBL7746459 0.80 CYP26A1 (0.46) RARARARBRARGCYP3A4CYP26A1
SCHEMBL3819796 0.80 RARB (0.60) RARARARBRARGCYP3A4CYP26A1

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