SCHEMBL16542337

SCHEMBL16542337

CC(=O)COCCc1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.47
▸ MAOB P27338 3/20 0.47
▸ TAAR1 Q96RJ0 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ AOC3 Q16853 1/20 0.44
▸ HTR3E A5X5Y0 1/20 0.44
▸ HTR3B O95264 1/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ HTR3D Q70Z44 1/20 0.44
▸ HTR3C Q8WXA8 1/20 0.44
▸ CHRM2 P08172 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ CNR1 P21554 1/20 0.43

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
SCHEMBL3893736 0.86 ALDH1A1 (0.51) TAAR1ALDH1A1KMT2AMEN1HPGD
SCHEMBL1623264 0.85 TAAR1 (0.47) TAAR1ALDH1A1KMT2AMEN1HPGD
SCHEMBL16542338 0.84 MAOB (0.56) MAOAMAOB
SCHEMBL13667239 0.81 MAOB (0.49) MAOAMAOBTAAR1ALDH1A1KMT2A
SCHEMBL10242706 0.80 ALDH1A1 (0.57) ALDH1A1HPGDSMN1; SMN2FFAR1FFAR4
SCHEMBL1848 0.78 ALDH1A1 (0.60) MAOAMAOBTAAR1ALDH1A1KMT2A
SCHEMBL1180332 0.78 ALDH1A1 (0.57) TAAR1ALDH1A1KMT2AMEN1HPGD
Hydrochloric Acid SCHEMBL1624038 0.77 HTR3E (0.57) MAOBTAAR1AOC3HTR3EHTR3B
SCHEMBL3173873 0.77 TAAR1 (0.52) TAAR1ALDH1A1KMT2AMEN1HPGD
SCHEMBL4281756 0.76 APP (0.48) MAOBTAAR1ALDH1A1KMT2AMEN1

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-2007372-B1 DIALKYL ETHER DELIVERY AGENTS EMISPHERE TECH INC (US) 2015-03-04 — — EP disclosed
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