SCHEMBL28115743

SCHEMBL28115743

N[C@H](c1cccc(OCc2ccccc2)c1)C(C(=O)O)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
NR4A2 P43354 1/20 0.55
MAOB P27338 4/20 0.52
ALOX5 P09917 1/20 0.52
SMPD1 P17405 1/20 0.50
GPR132 Q9UNW8 1/20 0.49
SPHK2 Q9NRA0 1/20 0.49
SPHK1 Q9NYA1 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
SRD5A2 P31213 1/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
SGMS2 Q8NHU3 1/20 0.48
FFAR1 O14842 1/20 0.48
PTPN1 P18031 1/20 0.48
MAOA P21397 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
SCHEMBL28115744 1.00 KMT2A (0.67) KMT2ASMN1; SMN2NR4A2MAOBALOX5
SCHEMBL5772678 0.87 SMN1; SMN2 (0.67) KMT2ASMN1; SMN2NR4A2MAOBALOX5
SCHEMBL5772666 0.87 SMN1; SMN2 (0.67) KMT2ASMN1; SMN2NR4A2MAOBALOX5
SCHEMBL5494784 0.81 KMT2A (0.64) KMT2ASMN1; SMN2NR4A2MAOBALOX5
SCHEMBL1566108 0.81 KMT2A (0.60) KMT2ASMN1; SMN2NR4A2MAOBALOX5
SCHEMBL14699489 0.81 KMT2A (0.55) KMT2ASMN1; SMN2NR4A2MAOBALOX5
SCHEMBL14699488 0.81 KMT2A (0.55) KMT2ASMN1; SMN2NR4A2MAOBALOX5
SCHEMBL19415790 0.81 SMN1; SMN2 (0.67) KMT2ASMN1; SMN2NR4A2MAOBALOX5
SCHEMBL2986567 0.80 ALOX5 (0.67) KMT2ASMN1; SMN2NR4A2MAOBALOX5
SCHEMBL3443361 0.80 KMT2A (0.82) KMT2ASMN1; SMN2NR4A2MAOBALOX5

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
CN-103906743-B The compound being combined with blood-platelet specific glycoprotein iib/iiia and the purposes of its thrombus imaging 皮拉莫尔影像股份公司 2016-12-28 CN disclosed