SCHEMBL9536115

SCHEMBL9536115

O=Cc1ccc(OCC(=O)NCC(O)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
KMT2A Q03164 5/20 0.53
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.51
BCAT2 O15382 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
ALOX15 P16050 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
ASAH1 Q13510 1/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL2556056 0.80 ALDH1A1 (0.82) ALDH1A1KDM4ESMN1; SMN2RAB9AGAA
SCHEMBL11667266 0.79 ALOX15 (0.54) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL937188 0.78 KMT2A (0.49) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL936476 0.78 KMT2A (0.49) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL936475 0.78 KMT2A (0.49) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL1195477 0.76 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL1195476 0.76 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL11655716 0.76 RAB9A (0.52) ALDH1A1KDM4ESMN1; SMN2RAB9AALOX15
SCHEMBL2561089 0.75 ALDH1A1 (0.67) ALDH1A1KMT2AKDM4EMEN1RAB9A
SCHEMBL11650625 0.75 ABCB1 (0.56) KMT2AKDM4EMEN1SMN1; SMN2ALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555251-A1 THIAZOLIDINE DIONE DERIVATIVES BEECHAM GROUP plc (GB) 1993-08-18 EP disclosed
WO-1992007838-A1 THIAZOLIDINE DIONE DERIVATIVES BEECHAM GROUP PLC (GB) 1992-05-14 WO disclosed