SCHEMBL7714849

SCHEMBL7714849

COC(=O)c1ccc(C#CC(=O)c2ccc3c(c2)C(SC)(SC)CCO3)cc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.39
RARG P13631 3/20 0.39
RARA P10276 2/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 3/20 0.33

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
SCHEMBL7715319 0.90 RARB (0.36) RARBRARGRARACA12CA1
SCHEMBL8440033 0.90 CA12 (0.41) RARBRARGRARACA12CA1
SCHEMBL7714840 0.82 CA12 (0.35) RARBRARGRARACA12CA1
SCHEMBL20838300 0.80 MAPT (0.39) RARBRARGRARAKDM4EMAPT
SCHEMBL20636846 0.79 CA12 (0.44) RARBRARGRARACA12CA1
SCHEMBL20636838 0.79 KDM4E (0.47) RARBRARGRARAKDM4EMAPT
SCHEMBL20636865 0.79 RARB (0.41) RARBRARGRARACA12CA1
SCHEMBL20636854 0.78 RARA (0.37) RARBRARGRARACA12CA1
SCHEMBL20636851 0.78 RARB (0.38) RARBRARGRARAKDM4EMAPT
SCHEMBL7566669 0.78 RARA (0.35) RARBRARGRARAKDM4EMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6368608-B1 SKIN DISORDERS CENTRE INTERNATIONAL DE RECHERCHE DERMATOLOGIQUES GALDERMA (C.I.R.D.) (FR) 2002-04-09 US disclosed
US-6162445-A Polyaromatic propynyl compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-12-19 US disclosed