SCHEMBL7753401

SCHEMBL7753401

CSC1(SC)CCOc2ccc(CC#Cc3ccc(C(=O)O)c(O)c3)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.33
PTPRC P08575 1/20 0.33
PTPRG P23470 1/20 0.33
CYP26A1 O43174 1/20 0.32
CYP26B1 Q9NR63 1/20 0.32
PPARA Q07869 1/20 0.32
RARA P10276 2/20 0.31
RARB P10826 2/20 0.31
RARG P13631 2/20 0.31
AKR1B1 P15121 1/20 0.31
SSTR5 P35346 2/20 0.31
ALDH1A1 P00352 3/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TSHR P16473 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
HPGD P15428 2/20 0.31

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
SCHEMBL20636854 0.89 RARA (0.37) ACACBCYP26A1RARARARBRARG
SCHEMBL7715319 0.83 RARB (0.36) CYP26A1CYP26B1RARARARBRARG
SCHEMBL6341270 0.81 XDH (0.33) PTPRCPTPRGXDHSLC22A12
SCHEMBL7713267 0.81 ACACB (0.33) ACACBRARARARBRARGALDH1A1
SCHEMBL20636850 0.80 AKR1B1 (0.37) ACACBCYP26A1CYP26B1RARARARB
SCHEMBL8440033 0.78 CA12 (0.41) ACACBRARARARBRARGALDH1A1
SCHEMBL20636817 0.78 RARA (0.36) ACACBPTPRCPTPRGCYP26A1RARA
SCHEMBL20636858 0.78 RARA (0.36) ACACBPTPRCPTPRGCYP26A1RARA
SCHEMBL20636846 0.78 CA12 (0.44) RARARARBRARGALDH1A1CA12
SCHEMBL6378170 0.76 RARB (0.52) 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 4 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-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