SCHEMBL27456972

SCHEMBL27456972

CCCCc1c(C(C)C(=O)O)ccc(O)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
FFAR1 O14842 1/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KAT8 Q9H7Z6 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
GAA P10253 1/20 0.35
IAPP P10997 1/20 0.34
SLC37A4 O43826 1/20 0.34
BID P55957 2/20 0.33
BCL2L1 Q07817 2/20 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
SCHEMBL4650200 0.82 TYR (0.45) TYRFFAR1HPGDMAPK1NPC1
SCHEMBL10752933 0.80 TYR (0.42) TYRHPGDMAPK1NPC1HTT
SCHEMBL60358 0.78 PTGS2 (0.49) PTGS1PTGS2HTTALDH1A1GAA
SCHEMBL28623909 0.74 KAT8 (0.50) TYRHPGDMAPK1NPC1HTT
SCHEMBL7950540 0.74 TYR (0.53) TYRPTGS1PTGS2HPGDMAPK1
SCHEMBL6438791 0.73 TYR (0.50) TYRHTTALDH1A1KDM4EGAA
SCHEMBL5450658 0.72 TYR (0.38) TYRPTGS1PTGS2HPGDMAPK1
SCHEMBL4803481 0.71 TYR (0.50) TYRHPGDMAPK1NPC1HTT
SCHEMBL28955098 0.71 TYR (0.44) TYRPTGS1PTGS2HPGDHTT
SCHEMBL9842041 0.71 TYR (0.47) TYRHPGDMAPK1NPC1HTT

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
CN-1109075-C Polyamide resin composition and process for producing the same MITSUI CHEMIALS INC (JP) 2003-05-21 CN disclosed
CN-1221766-A Polyamide resin composition and process for producing the same MITSUI CHEMICALS INC (JP) 1999-07-07 CN disclosed