SCHEMBL15947259

SCHEMBL15947259

COC(=O)c1ccc2c(c1)CC(C)(C)O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALOX5 P09917 1/20 0.46
CA12 O43570 3/20 0.44
CA9 Q16790 3/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA14 Q9ULX7 2/20 0.44
XDH P47989 1/20 0.44
NPC1 O15118 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
RARB P10826 2/20 0.41

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
SCHEMBL16742142 0.85 COXFA4 (0.53) MAPTRAB9ASMN1; SMN2LMNATSHR
SCHEMBL2811130 0.84 CA12 (0.48) MAPTRAB9ALMNATSHRCA12
SCHEMBL10407993 0.84 MAPT (0.44) MAPTRAB9ANPSR1NPC1RARB
SCHEMBL20195015 0.84 ALOX5 (0.45) MAPTRAB9ASMN1; SMN2LMNAALOX5
SCHEMBL103150 0.83 MAPT (0.47) MAPTRAB9ANPC1KMT2AKDM4E
SCHEMBL2812534 0.83 RXRA (0.52) MAPTALOX5CA12CA9CA1
SCHEMBL670503 0.81 MAPT (0.61) MAPTRAB9ASMN1; SMN2LMNATSHR
SCHEMBL14898177 0.81 CA12 (0.45) MAPTRAB9ASMN1; SMN2LMNATSHR
SCHEMBL17429685 0.81 SMN1; SMN2 (0.43) MAPTRAB9ASMN1; SMN2LMNATSHR
SCHEMBL17385845 0.81 MAPT (0.50) MAPTRAB9ASMN1; SMN2LMNATSHR

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
WO-2014121695-A1 NOVEL XANTHINE OXIDASE INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF 镇江新元素医药科技有限公司 (CN) 2014-08-14 WO disclosed