SCHEMBL29951552

SCHEMBL29951552

CN(C)c1c(Cl)cccc1NC(=O)/C=C/C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 2/20 0.55
LPAR3 Q9UBY5 1/20 0.55
KDM4E B2RXH2 4/20 0.53
MAPT P10636 3/20 0.53
PKM P14618 1/20 0.53
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.49
CYP2C9 P11712 2/20 0.49
HPGD P15428 2/20 0.49
KMT2A Q03164 2/20 0.49
NR4A1 P22736 1/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 2/20 0.48
CYP2C19 P33261 1/20 0.48
EGFR P00533 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48

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
SCHEMBL7833348 0.81 ALDH1A1 (0.62) LPAR2LPAR3KDM4EMAPTPKM
SCHEMBL7833350 0.81 ALDH1A1 (0.62) LPAR2LPAR3KDM4EMAPTPKM
SCHEMBL9364375 0.80 LPAR2 (0.63) LPAR2LPAR3KDM4EMAPTPKM
SCHEMBL9364381 0.80 LPAR2 (0.63) LPAR2LPAR3KDM4EMAPTPKM
SCHEMBL30764101 0.80 MMP1 (0.71) LPAR2LPAR3KDM4EMAPTPKM
SCHEMBL7814581 0.80 MMP1 (0.71) LPAR2LPAR3KDM4EMAPTPKM
SCHEMBL7814579 0.80 MMP1 (0.71) LPAR2LPAR3KDM4EMAPTPKM
SCHEMBL10493789 0.79 KDM4E (0.63) LPAR2LPAR3KDM4EMAPTPKM
SCHEMBL10493785 0.79 KDM4E (0.63) LPAR2LPAR3KDM4EMAPTPKM
SCHEMBL29955215 0.77 MEN1 (0.53) KDM4EMAPTALDH1A1LMNAHTT

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed