SCHEMBL30715522

SCHEMBL30715522

COc1ccc2c(c1)C(O)=C(F)CO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALOX12 P18054 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 2/20 0.50
HPGD P15428 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAOB P27338 2/20 0.44
CYP19A1 P11511 1/20 0.41
PGR P06401 1/20 0.40
KLK7 P49862 1/20 0.40
CYP3A4 P08684 3/20 0.39
ALOX15 P16050 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
USP2 O75604 2/20 0.39
PPIB P23284 1/20 0.39

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
SCHEMBL30715533 0.79 MAPT (0.40) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL30715507 0.77 NOTUM (0.44) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL30715517 0.76 APP (0.47) MAPTALDH1A1RAB9ATDP1CYP19A1
SCHEMBL172911 0.73 MAPT (0.63) MAPTKDM4EALDH1A1SMN1; SMN2ALOX12
SCHEMBL21993950 0.71 MAPT (0.46) MAPTKDM4EALDH1A1SMN1; SMN2ALOX12
SCHEMBL6799195 0.71 MAPT (0.46) MAPTKDM4EALDH1A1SMN1; SMN2ALOX12
SCHEMBL30715523 0.71 MAOB (0.41) MAPTKDM4EALDH1A1RAB9AGAA
SCHEMBL30715529 0.70 NR3C1 (0.42) MAPTALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL18031758 0.69 MAPT (0.49) MAPTKDM4EALDH1A1SMN1; SMN2ALOX12
SCHEMBL18031759 0.69 MAPT (0.47) MAPTKDM4EALDH1A1SMN1; SMN2ALOX12

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