SCHEMBL24042811

SCHEMBL24042811

CCOC(=O)N1CC2CCC1CO2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.35
GAA P10253 1/20 0.35
CHRM1 P11229 7/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RECQL P46063 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32

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
SCHEMBL30092000 0.85 DGAT2 (0.38) GAACHRM1TSHRRECQL
SCHEMBL24287889 0.85 RAB9A (0.46) VNN1GAATSHRALDH1A1
SCHEMBL20215923 0.80 VNN1 (0.36) VNN1
SCHEMBL25838114 0.78 VNN1 (0.38) VNN1ATM
SCHEMBL25837324 0.78 VNN1 (0.38) VNN1ATM
SCHEMBL31707186 0.75 VNN1 (0.39) VNN1
SCHEMBL5493081 0.75 VNN1 (0.39) VNN1
SCHEMBL24287958 0.75 RAB9A (0.30)
SCHEMBL29822372 0.74 GAA (0.40) GAACHRM1TSHRALDH1A1THRB
SCHEMBL25849183 0.74 VNN1 (0.38) VNN1

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
EP-3912975-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-11-24 EP disclosed