SCHEMBL8440875

SCHEMBL8440875

O=C1C=CC(=O)C(COc2ccccc2)=C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.55
▸ MAOB P27338 3/20 0.55
▸ TOP1 P11387 1/20 0.42
▸ DAO P14920 3/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ HSD17B3 P37058 1/20 0.39
▸ APP P05067 1/20 0.39
▸ KCNA3 P22001 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ GSTP1 P09211 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL9050306 0.80 MAOB (0.39) MAOAMAOBTOP1APP
SCHEMBL1079030 0.74 ALDH1A1 (0.46) MAOAMAOBDAOKCNA3
SCHEMBL10446171 0.71 GAPDH (0.53) MAOAMAOBTOP1KCNA3RAB9A
SCHEMBL1872240 0.71 MAOA (1.00) MAOAMAOBTOP1HSD17B3
SCHEMBL20087547 0.70 MAOA (0.44) MAOAMAOB
SCHEMBL7898065 0.70 ACHE (0.47) MAOAMAOB
Hydrochloric Acid SCHEMBL28528717 0.69 MAOA (0.96) MAOAMAOBTOP1HSD17B3
SCHEMBL11492402 0.69 MAOA (0.44) MAOAMAOB
Bromide SCHEMBL27336436 0.69 MAOA (0.96) MAOAMAOBTOP1HSD17B3
Methane SCHEMBL16817136 0.69 MAOA (0.96) MAOAMAOBTOP1HSD17B3

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-0758314-B1 COMPOUNDS CONTAINING A MICHAEL-ACCEPTOR, ESPECIALLY MALEIMIDE OR MALEIC ACID DERIVATIVES, DIRECTLY OR INDIRECTLY LINKED TO A CHROMOPHORE AND THEIR USE IN LONG LASTING SUNSCREEN COMPOSITIONS VANGUARD MEDICA LTD (GB) 1999-09-15 — — EP claimed
WO-1995030646-A1 COMPOUNDS CONTAINING A MICHAEL-ACCEPTOR, ESPECIALLY MALEIMIDE OR MALEIC ACID DERIVATIVES, DIRECTLY OR INDIRECTLY LINKED TO A CHROMOPHORE AND THEIR USE IN LONG LASTING SUNSCREEN COMPOSITIONS VANGUARD MEDICA LIMITED (GB) 1995-11-16 — — WO claimed
Send feedback