SCHEMBL24136222

SCHEMBL24136222

C[C@@]1(C(=O)O)C=CC[C@H](C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.42
GRM2 Q14416 2/20 0.38
GRM3 Q14832 2/20 0.38
GRM4 Q14833 2/20 0.38
CYP1A2 P05177 2/20 0.38
ALOX15 P16050 2/20 0.38
CYP2C19 P33261 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
GRM8 O00222 1/20 0.38
GRM6 O15303 1/20 0.38
LMNA P02545 1/20 0.38
GRM5 P41594 1/20 0.38
MTOR P42345 1/20 0.38
GRM1 Q13255 1/20 0.38
PLCB1 Q9NQ66 1/20 0.38
TSHR P16473 1/20 0.38
APLNR P35414 1/20 0.36
FFAR3 O14843 1/20 0.31
F10 P00742 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL17696581 0.90 ABAT (0.36) ABATGRM2GRM3GRM4CYP1A2
SCHEMBL17696582 0.90 ABAT (0.36) ABATGRM2GRM3GRM4CYP1A2
SCHEMBL27293387 0.81 APLNR (0.43) ABATGRM2GRM3GRM4CYP1A2
SCHEMBL23636364 0.74 BCHE (0.30)
SCHEMBL1665143 0.70 FFAR3 (0.33) CYP2C19TDP1LMNAMTORAPLNR
SCHEMBL8356300 0.70
SCHEMBL12491910 0.69 ABAT (0.48) ABATGRM2GRM3GRM4CYP1A2
SCHEMBL12491907 0.69 ABAT (0.48) ABATGRM2GRM3GRM4CYP1A2
SCHEMBL1285848 0.67 FFAR3 (0.37) FFAR3
SCHEMBL29955880 0.67 FFAR3 (0.37) FFAR3

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-3693426-B1 ANTIFOULING PAINT COMPOSITION AND COATED ARTICLE HAVING ANTIFOULING COATING FORMED USING SAID COMPOSITION ON SURFACE NITTO KASEI CO LTD (JP) 2021-12-29 EP disclosed