SCHEMBL29962195

SCHEMBL29962195

C=CCC(C(=O)O)c1ccccc1C

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.62
ACP3 P15309 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ESR1 P03372 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TP53 P04637 1/20 0.35
CTSA P10619 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL10952808 0.82 CYP2C19 (0.60) CYP2C19SMN1; SMN2MEN1KMT2APOLB
SCHEMBL598579 0.81 CYP2C19 (0.64) CYP2C19SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1908317 0.80 CYP2C19 (0.62) CYP2C19SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL1928791 0.79 ACP3 (0.43) CYP2C19ACP3MEN1KMT2AESR1
SCHEMBL1857873 0.79 ACP3 (0.43) CYP2C19ACP3SMN1; SMN2MEN1KMT2A
SCHEMBL11497859 0.78 CYP2C19 (0.58) CYP2C19ACP3KDM4ECYP1A2ALDH1A1
Methyl Alcohol SCHEMBL11775681 0.77 CYP2C19 (0.93) CYP2C19SMN1; SMN2POLB
SCHEMBL18215051 0.77 ACP3 (0.42) CYP2C19ACP3SMN1; SMN2MEN1KMT2A
SCHEMBL15270547 0.77 ACP3 (0.42) CYP2C19ACP3SMN1; SMN2MEN1KMT2A
SCHEMBL3383530 0.77 ROCK2 (0.49) CYP2C19ACP3SMN1; SMN2MEN1KMT2A

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-119569548-A Application of marine actinomycetes HN2-56 active metabolite in anti-quorum sensing 扬州大学 2025-03-07 CN disclosed
CN-113105324-B O-methyl phenyl olefine acid compound and its separation method and use 哈药慈航制药股份有限公司 2022-09-27 CN disclosed