SCHEMBL6472938

SCHEMBL6472938

C=C(CCC(C(=O)O)c1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.51
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
POLB P06746 1/20 0.41
TBXAS1 P24557 2/20 0.40
GLS O94925 1/20 0.40
EPHX1 P07099 1/20 0.40
MAPK1 P28482 1/20 0.39
ECE1 P42892 1/20 0.38

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
SCHEMBL491753 0.83 MTNR1A (0.46) CYP2D6SRCTBXAS1
SCHEMBL7715179 0.81 CYP2C19 (0.55) CYP2C19LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL27491825 0.81 CYP2C19 (0.53) CYP2C19LMNAKDM4EALDH1A1CYP2D6
SCHEMBL652523 0.81 CYP2C19 (0.53) CYP2C19LMNAKDM4EALDH1A1CYP2D6
SCHEMBL30371912 0.80 CYP2C19 (0.61) CYP2C19LMNASMN1; SMN2ALDH1A1CYP2D6
SCHEMBL26914641 0.80 RIPK1 (0.46) LMNASMN1; SMN2KDM4EL3MBTL1MAPK1
SCHEMBL28234437 0.79 CYP2C19 (0.52) CYP2C19LMNAKDM4EALDH1A1CYP2D6
SCHEMBL10897198 0.79 RIPK1 (0.46) KDM4EALDH1A1
SCHEMBL11273044 0.79 HPGD (0.41) CYP2C19LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL5323653 0.78 CYP2C19 (0.50) CYP2C19LMNASMN1; SMN2NPSR1CYP2D6

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-2005016983-A1 COATING SYSTEM CONTAINING (METH)ACRYLATE SIKA TECHNOLOGY AG (CH) 2005-02-24 WO disclosed