SCHEMBL28510037

SCHEMBL28510037

CCCCCCCCCCn1c(C)c(C(=O)O)ncc1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADORA2B P29275 1/20 0.38
PLA2G2A P14555 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 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
SCHEMBL28498192 0.85 KDM4E (0.42) CNR2ALDH1A1CYP1A2CYP2C19NPSR1
SCHEMBL9482657 0.68 KDM6B (0.44) ALDH1A1CYP1A2GLACYP2D6CYP2C9
SCHEMBL7764122 0.67 HCAR3 (0.48)
SCHEMBL30231092 0.67 ALDH1A1 (0.58) ALDH1A1CYP1A2GLACYP2D6CYP2C9
SCHEMBL28477692 0.67 ALDH1A1 (0.58) ALDH1A1CYP1A2GLACYP2D6CYP2C9
SCHEMBL28668094 0.67 ALDH1A1 (0.58) ALDH1A1CYP1A2GLACYP2D6CYP2C9
SCHEMBL1989976 0.66 TLR8 (0.41) ADORA2B
SCHEMBL13270920 0.65 CNR2 (0.43) CNR2ALDH1A1TP53TSHR
SCHEMBL29856906 0.65 ALDH1A1 (0.42) ALDH1A1ADORA2BTP53TSHR
SCHEMBL20503226 0.65 RARB (0.52) ALDH1A1CYP1A2TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113365696-A Pharmaceutical compounds and their use as inhibitors of ubiquitin-specific protease 19(USP19) 阿尔麦克探索有限公司 2021-09-07 CN claimed
CN-112135818-A 4-hydroxypiperidine derivatives and their use as inhibitors of ubiquitin-specific protease 19(USP19) 阿尔麦克探索有限公司 2020-12-25 CN claimed
CN-113365696-A Pharmaceutical compounds and their use as inhibitors of ubiquitin-specific protease 19(USP19) 阿尔麦克探索有限公司 2021-09-07 CN disclosed
CN-112135818-A 4-hydroxypiperidine derivatives and their use as inhibitors of ubiquitin-specific protease 19(USP19) 阿尔麦克探索有限公司 2020-12-25 CN disclosed