SCHEMBL28201097

SCHEMBL28201097

NCc1cccc(C(=O)CO)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.59
ENPP2 Q13822 1/20 0.48
CFD P00746 1/20 0.45
PNMT P11086 1/20 0.44
FOLH1 Q04609 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
HTR2C P28335 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
NOS1 P29475 4/20 0.41
NOS2 P35228 4/20 0.41
HDAC3 O15379 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL28879863 0.83 LOXL2 (0.57) LOXL2ENPP2CFDPNMTFOLH1
SCHEMBL28879968 0.83 LOXL2 (0.57) LOXL2ENPP2CFDPNMTFOLH1
SCHEMBL2643707 0.83 LOXL2 (0.62) LOXL2ENPP2CFDPNMTFOLH1
SCHEMBL27280115 0.83 LOXL2 (0.57) LOXL2ENPP2CFDPNMTFOLH1
SCHEMBL27594322 0.82 LOXL2 (0.65) LOXL2ENPP2CFDPNMTFOLH1
SCHEMBL28067316 0.81 LOXL2 (0.60) LOXL2ENPP2CFDFOLH1HTR2C
Ethane SCHEMBL27753883 0.81 LOXL2 (0.60) LOXL2ENPP2CFDPNMTFOLH1
SCHEMBL12235278 0.81 TDP1 (0.48) TSHRALDH1A1CYP3A4SMN1; SMN2
SCHEMBL11635523 0.81 FOLH1 (0.43) LOXL2FOLH1PRSS1PRSS2PRSS3
SCHEMBL924897 0.81 CYP4F2 (0.49) LOXL2FOLH1CYP4F2CYP4A11HDAC3

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-104995176-B Hydantoins that modulate BACE mediated APP processing 巴克老龄化研究所 2019-02-22 CN disclosed
CN-107793374-A A kind of preparation method of 2 bromine 1 (3 methoxyphenyl) oxazoles 湖南华腾制药有限公司 2018-03-13 CN disclosed