SCHEMBL7746394

SCHEMBL7746394

CC1(C)CCC(C)(C)c2cc(CC#Cc3ccc(C(=O)Nc4ccc(O)cc4)cc3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 10/20 0.57
CYP26B1 Q9NR63 8/20 0.57
RARA P10276 7/20 0.54
RARB P10826 6/20 0.54
RARG P13631 6/20 0.54
CYP3A4 P08684 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
PGR P06401 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
TBXA2R P21731 1/20 0.54
BLVRB P30043 1/20 0.54
CRABP2 P29373 1/20 0.47
RXRA P19793 1/20 0.45

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 0.85 CYP26A1 (0.48) CYP26A1CYP26B1RARARARBRARG
SCHEMBL7746406 0.85 CYP26A1 (0.53) CYP26A1CYP26B1RARARARBRARG
SCHEMBL7752015 0.83 CYP26A1 (0.51) CYP26A1CYP26B1RARARARBRARG
SCHEMBL6873454 0.81 CYP26A1 (0.54) CYP26A1CYP26B1RARARARBRARG
SCHEMBL6372002 0.81 RARB (0.71) CYP26A1CYP26B1RARARARBRARG
SCHEMBL8461840 0.81 CYP26A1 (0.80) CYP26A1CYP26B1RARARARBRARG
SCHEMBL9446527 0.81 CYP26A1 (0.80) CYP26A1CYP26B1RARARARBRARG
SCHEMBL7928437 0.80 RARB (0.55) CYP26A1CYP26B1RARARARBRARG
SCHEMBL7752077 0.80 RARB (0.55) CYP26A1CYP26B1RARARARBRARG
SCHEMBL8736649 0.80 CYP26A1 (0.38) CYP26A1CYP26B1RARARARBRARG

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 8 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
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
EP-0832057-A1 DIAROMATIC PROPYNYL OR DIENYL COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-04-01 EP disclosed
WO-1997033856-A1 DIAROMATIC PROPYNYL OR DIENYL COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-09-18 WO disclosed