SCHEMBL6531075

SCHEMBL6531075

CC(=O)N(c1ccc(Cl)cc1)[C@H](C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 2/20 0.38
BRD4 O60885 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MT-CO2 P00403 1/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37

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
SCHEMBL9594867 0.88 ALDH1A1 (0.39) LMNAKDM4EALOX15MEN1KMT2A
SCHEMBL11249889 0.83 LMNA (0.49) LMNAKMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL1061794 0.83 LMNA (0.49) LMNAKMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL2968427 0.83 LMNA (0.49) LMNAKMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL6533143 0.83 ALDH1A1 (0.39) LMNAKDM4EALOX15HSD17B10CYP2C9
SCHEMBL11871155 0.82 ALDH1A1 (0.38) LMNAKDM4EALOX15KMT2ACYP2C9
SCHEMBL8040626 0.81 ALDH1A1 (0.47) LMNAKMT2AALDH1A1SMN1; SMN2TP53
Ammonia Solution, Strong SCHEMBL28025615 0.81 ALDH1A1 (0.47) LMNAKMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL8040628 0.81 ALDH1A1 (0.47) LMNAKMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL10514467 0.79 TRPM8 (0.46) LMNAKDM4EALDH1A1SMN1; SMN2TP53

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-2005047253-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2005-05-26 WO disclosed