SCHEMBL9533305

SCHEMBL9533305

CC(=O)CCOC(=O)C(=O)OCCc1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 1/20 0.41
TAAR1 Q96RJ0 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 3/20 0.40
CASP3 P42574 2/20 0.39
SENP8 Q96LD8 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP6 Q9GZR1 2/20 0.39
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 1/20 0.39
PLAAT4 Q9UL19 1/20 0.39
HTT P42858 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL149752 0.83 THRB (0.45) MAOAMAOBALDH1A1TAAR1RAB9A
SCHEMBL29716380 0.83 THRB (0.45) MAOAMAOBALDH1A1TAAR1RAB9A
SCHEMBL10499879 0.82 MAOA (0.46) MAOAMAOBALDH1A1TAAR1RAB9A
SCHEMBL20940182 0.81 TAAR1 (0.44) MAOAMAOBTAAR1RAB9ANPC1
SCHEMBL31612133 0.80 IAPP (0.55) MAOAMAOBALDH1A1LMNATAAR1
SCHEMBL1293 0.80 IAPP (0.55) MAOAMAOBALDH1A1LMNATAAR1
SCHEMBL27740606 0.80 TAAR1 (0.45) MAOAMAOBALDH1A1LMNATAAR1
SCHEMBL27449727 0.77 TAAR1 (0.47) TAAR1RAB9ANPC1PLAAT3PLAAT5
SCHEMBL14492582 0.77 ALDH1A1 (0.51) MAOAMAOBALDH1A1LMNATAAR1
SCHEMBL1821613 0.76 TAAR1 (0.50) LMNATAAR1RAB9ANPC1HTT

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-0539372-A1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1993-05-05 EP disclosed