SCHEMBL9550484

SCHEMBL9550484

CO/C=C(/C(=O)OC)c1cccc2cc(-c3ccccc3)oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.47
MAOB P27338 1/20 0.47
ERAP1 Q9NZ08 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 2/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
KDM1A O60341 1/20 0.39
CCNT1 O60563 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
CCNA2 P20248 1/20 0.39
CCNC P24863 1/20 0.39
CDK2 P24941 1/20 0.39
GABRB3 P28472 1/20 0.39

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
SCHEMBL9550507 0.98 ERAP1 (0.47) MAOAMAOBERAP1NPC1RAB9A
SCHEMBL9550421 0.94 ERAP1 (0.41) MAOAMAOBERAP1NPC1RAB9A
SCHEMBL9550495 0.91 CYSLTR1 (0.49) MAOAMAOBERAP1NPC1RAB9A
SCHEMBL9550413 0.90 CYSLTR1 (0.41) MAOAMAOBERAP1NPC1RAB9A
SCHEMBL9550451 0.90 SLC6A3 (0.43) MAOAMAOBERAP1ALDH1A1HPGD
SCHEMBL9368976 0.90 NTRK1 (0.49) MAOAERAP1NPC1RAB9AALDH1A1
SCHEMBL9370300 0.89 PTPN1 (0.47) ERAP1NPC1ALDH1A1HPGDPTGS2
SCHEMBL9367517 0.89 HDAC3 (0.47) MAOAMAOBERAP1ALDH1A1HPGD
SCHEMBL9550477 0.86 ADORA3 (0.43) MAOAMAOBERAP1NPC1RAB9A
SCHEMBL9550481 0.85 ALDH1A1 (0.40) MAOAMAOBNPC1RAB9AALDH1A1

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-5182295-A Miticides, fungicides ROUSSEL UCLAF (FR) 1993-01-26 US disclosed