SCHEMBL9837649

SCHEMBL9837649

CCCC[Sn](CCCC)(CCCC)c1cccc(NC(=O)/C=C\C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 3/20 0.58
LPAR1 Q92633 2/20 0.58
CREBBP Q92793 1/20 0.54
ALDH1A1 P00352 6/20 0.50
LPAR3 Q9UBY5 3/20 0.50
PARP1 P09874 2/20 0.50
PARP15 Q460N3 2/20 0.50
PARP14 Q460N5 2/20 0.50
PARP10 Q53GL7 2/20 0.50
THRB P10828 2/20 0.50
MAPT P10636 2/20 0.50
THRA P10827 1/20 0.50
NMT1 P30419 1/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.41
AURKA O14965 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
SCHEMBL13730194 0.80 RAB9A (0.43) ALDH1A1THRBPKMKDM4EKMT2A
SCHEMBL9713095 0.79 KDM4E (0.58) ALDH1A1MAPTKDM4EKMT2A
SCHEMBL11508811 0.79 CYP2C19 (0.48) ALDH1A1PKMKMT2A
SCHEMBL9647774 0.78 NPSR1 (0.51) ALDH1A1MAPTKDM4E
SCHEMBL11507796 0.77 CYP1A2 (0.54) ALDH1A1MAPTPKMKMT2AHTT
SCHEMBL441805 0.76 LPAR2 (1.00) LPAR2LPAR1CREBBPALDH1A1LPAR3
SCHEMBL1552033 0.76 LPAR2 (1.00) LPAR2LPAR1CREBBPALDH1A1LPAR3
SCHEMBL441804 0.76 LPAR2 (1.00) LPAR2LPAR1CREBBPALDH1A1LPAR3
Iodide SCHEMBL1552156 0.74 LPAR2 (0.96) LPAR2LPAR1CREBBPALDH1A1LPAR3
SCHEMBL30764078 0.74 LPAR2 (0.71) LPAR2LPAR1CREBBPALDH1A1LPAR3

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-4994557-A Radiohalogenated half-antibodies and maleimide intermediate therefor PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1991-02-19 US disclosed