SCHEMBL7751252

SCHEMBL7751252

CC1(C)CCC(C)(C)c2cc(CC#Cc3ccc(C(=O)NO)c(O)c3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 8/20 0.44
RARA P10276 5/20 0.44
RARG P13631 5/20 0.44
RARB P10826 4/20 0.44
CYP3A4 P08684 2/20 0.44
CRABP2 P29373 1/20 0.44
MPO P05164 1/20 0.43
RXRA P19793 4/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
CYP26B1 Q9NR63 5/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL6378170 0.88 RARB (0.52) CYP26A1RARARARGRARBCYP3A4
SCHEMBL7752278 0.87 CYP3A4 (0.44) CYP26A1RARARARGRARBCYP3A4
SCHEMBL7751295 0.87 RARB (0.51) CYP26A1RARARARGRARBCYP3A4
Lithium Ion SCHEMBL7751288 0.86 CYP26A1 (0.44) CYP26A1RARARARGRARBCYP3A4
SCHEMBL7746406 0.84 CYP26A1 (0.53) CYP26A1RARARARGRARBCYP3A4
Diethanolamine SCHEMBL7753391 0.83 RARB (0.45) CYP26A1RARARARGRARBCYP3A4
SCHEMBL7753400 0.80 RARG (0.43) CYP26A1RARARARGRARBCYP3A4
SCHEMBL7753396 0.79 CYP26A1 (0.39) CYP26A1RARARARGRARBCYP3A4
SCHEMBL7746475 0.79 RARG (0.55) CYP26A1RARARARGRARBCYP3A4
SCHEMBL7751276 0.78 RARB (0.42) CYP26A1RARARARGRARBCYP3A4

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