SCHEMBL11247571

SCHEMBL11247571

C=CCCOc1ccc(C(=O)O)c(-c2ccc(OC)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTPN11 Q06124 3/20 0.44
MCL1 Q07820 1/20 0.42
MAP4K4 O95819 1/20 0.42
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
PRKAB2 O43741 2/20 0.41
PRKAG1 P54619 2/20 0.41
PRKAA2 P54646 2/20 0.41
PRKAA1 Q13131 2/20 0.41
PRKAG3 Q9UGI9 2/20 0.41
PRKAG2 Q9UGJ0 2/20 0.41
PRKAB1 Q9Y478 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL18763595 0.94 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1L3MBTL1PTPN11MCL1
SCHEMBL9446930 0.87 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MAP4K4KDM4EGAA
SCHEMBL29109658 0.85 ALDH1A1 (0.52) ALDH1A1L3MBTL1PTPN11MCL1
SCHEMBL18763585 0.82 ALDH1A1 (0.53) ALDH1A1L3MBTL1PTPN11MCL1
SCHEMBL12096703 0.82 PTPN11 (0.47) SMN1; SMN2ALDH1A1PTPN11MCL1MAP4K4
SCHEMBL7591657 0.81 SMN1; SMN2 (0.75) SMN1; SMN2ALDH1A1KDM4EGAARXFP1
SCHEMBL18763587 0.79 ALDH1A1 (0.52) ALDH1A1L3MBTL1PTPN11PRKAB2PRKAG1
SCHEMBL9186976 0.78 MCL1 (0.44) ALDH1A1L3MBTL1MCL1PRKAB2PRKAG1
SCHEMBL11517805 0.78 PTPN11 (0.65) SMN1; SMN2ALDH1A1PTPN11MCL1KDM4E
SCHEMBL8962717 0.78 RARB (0.53) SMN1; SMN2ALDH1A1PTPN11MCL1KDM4E

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
US-4358391-A BRANCHED POLYSILOXANES WACKER-CHEMIE GMBH (DE) 1982-11-09 US disclosed