SCHEMBL7414503

SCHEMBL7414503

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALOX15 P16050 2/20 0.49
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
ALOX5 P09917 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.44
ELANE P08246 1/20 0.43
MAOB P27338 1/20 0.43
OXER1 Q8TDS5 3/20 0.42
POLB P06746 1/20 0.42
THRB P10828 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
SCHEMBL7511323 0.91 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EHSD17B10ALOX15
SCHEMBL7413720 0.86 ALOX5 (0.47) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL7750525 0.84 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EHSD17B10ALOX15
SCHEMBL7387558 0.83 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EHSD17B10ALOX15
SCHEMBL8688754 0.81 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EHSD17B10ALOX15
SCHEMBL8687719 0.79 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EHSD17B10ALOX15
SCHEMBL8687098 0.79 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EHSD17B10ALOX15
SCHEMBL3923885 0.79 ALOX15 (0.47) ALDH1A1HPGDKDM4EHSD17B10ALOX15
SCHEMBL7509211 0.77 ALOX5 (0.47) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL28026378 0.76 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EHSD17B10ALOX15

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-6075021-A 1H-pyrido[3,4-b]indole-4-carboxamide derivatives, preparation and application thereof in therapeutics SYNTHELABO (FR) 2000-06-13 US disclosed