SCHEMBL30715533

SCHEMBL30715533

Cc1ccc2c(c1)C(O)=C(F)CO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
HTT P42858 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP12 P39900 1/20 0.39
TSHR P16473 1/20 0.38
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
PGR P06401 1/20 0.37

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
SCHEMBL30715507 0.81 NOTUM (0.44) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL30715517 0.79 APP (0.47) MAPTHTTRAB9ALMNATP53
SCHEMBL30715522 0.79 MAPT (0.50) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL30715523 0.74 MAOB (0.41) MAPTRAB9AMAPK1LMNAHPGD
SCHEMBL30715529 0.73 NR3C1 (0.42) MAPTRAB9ASMN1; SMN2MAPK1HPGD
SCHEMBL30715521 0.71 MAOB (0.37) L3MBTL1KDM4E
SCHEMBL95448 0.71 MMP12 (0.51) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL12856859 0.71 MMP12 (0.43) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL12311607 0.71 MEN1 (0.46) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL30715536 0.70 MAP3K14 (0.40) MAPTNPC1RAB9ASMN1; SMN2MEN1

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
CN-117126126-A Method for asymmetrically synthesizing adjacent halohydrin compound 凯特立斯(深圳)科技有限公司 2023-11-28 CN disclosed