SCHEMBL3686852

SCHEMBL3686852

C[C@@H](CC1Oc2ccccc2O1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 5/20 0.42
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.38
RXRA P19793 1/20 0.38
NR4A2 P43354 1/20 0.38
P2RX4 Q99571 1/20 0.38
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37
PIK3CD O00329 1/20 0.36
MTNR1A P48039 1/20 0.36
CA2 P00918 2/20 0.36
GRM8 O00222 1/20 0.36
GRM7 Q14831 1/20 0.36
GRM4 Q14833 1/20 0.36

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
SCHEMBL13752382 0.79 CA2 (0.43) LMNAMAPTSMN1; SMN2NPSR1P2RX4
SCHEMBL11329744 0.79 LMNA (0.40) LMNAMAPTSMN1; SMN2NPSR1HTT
SCHEMBL4553784 0.73 P2RX4 (0.40) LMNAMAPTSMN1; SMN2NPSR1HTT
SCHEMBL25661119 0.70 ALDH1A1 (0.41) L3MBTL1
SCHEMBL4553391 0.70 HTT (0.47) SMN1; SMN2HTTPOLBMTNR1ACA2
SCHEMBL7680917 0.69 ACE (0.47) APAF1GRM7
SCHEMBL29714969 0.69 SMN1; SMN2 (0.39) LMNAMAPTSMN1; SMN2NPSR1HTT
SCHEMBL12859326 0.68 GABRR1 (0.37)
SCHEMBL11812764 0.68 CA2 (0.37) HTTCA2
SCHEMBL28107553 0.67 P2RX4 (0.48) MAPTP2RX4L3MBTL1

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
WO-2010131274-A1 PROCESS FOR PREPARING HYDROCINNAMIC ALDEHYDES IN ENANTIOPURE OR ENANTIOMERICALLY ENRICHED FORM ENDURA S.P.A (IT) 2010-11-18 WO disclosed