SCHEMBL7511323

SCHEMBL7511323

C=C(C(=O)O)c1c(C(=O)OCC)n(C)c2ccc(Cl)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
ALOX5 P09917 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
OXER1 Q8TDS5 4/20 0.44
MAPT P10636 1/20 0.44
ELANE P08246 1/20 0.43
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 1/20 0.41
MAOB P27338 1/20 0.40

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
SCHEMBL7414503 0.91 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL7387558 0.88 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL7509211 0.86 ALOX5 (0.47) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL7750525 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL8688754 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL8687719 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL8687098 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL5702463 0.79 ALOX15 (0.47) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL7413720 0.77 ALOX5 (0.47) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL28026378 0.76 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10ALOX15

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
EP-0934319-B1 1H-PYRIDO[3,4-b]INDOLE-4-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS SANOFI SYNTHELABO (FR) 2002-06-05 EP disclosed