SCHEMBL12374705

SCHEMBL12374705

Cc1c(O)c(C(=O)/C=C/C2CCCCC2)c(=O)n(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 4/20 0.45
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL12374646 0.89 PADI4 (0.44) PADI4NPC1RAB9AGAAPPARG
SCHEMBL24329076 0.78 PADI4 (0.44) PADI4GAAALDH1A1
SCHEMBL12374651 0.77 PADI4 (0.65) PADI4NPC1RAB9AGAAPPARG
SCHEMBL12374649 0.76 PADI4 (0.45) PADI4NPC1RAB9AGAAPPARG
SCHEMBL12374714 0.75 PADI4 (0.47) PADI4NPC1RAB9AALDH1A1MEN1
SCHEMBL15233104 0.75 PADI4 (0.37) PADI4NPC1RAB9AGAAPPARG
SCHEMBL13403201 0.74 PADI4 (0.39) PADI4NPC1RAB9APPARGALDH1A1
SCHEMBL13403211 0.69 PADI4 (0.37) PADI4
SCHEMBL14514826 0.69 PADI4 (0.50) PADI4NPC1RAB9AGAAPPARG
SCHEMBL31384761 0.68 LDHA (0.43) NPC1RAB9AGAAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989478-B2 decreases expression of a Type I collage gene in a tissue to induce a reduction in accumulation of collagen and thereby improves tissue fibrosis SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-02 US disclosed