SCHEMBL4660647

SCHEMBL4660647

C/C(=C\Cl)CCc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAAT3 P53816 3/20 0.45
▸ PLAAT5 Q96KN8 3/20 0.45
▸ PLAAT2 Q9NWW9 3/20 0.45
▸ PLAAT4 Q9UL19 3/20 0.45
▸ TAAR1 Q96RJ0 2/20 0.44
▸ PDPK1 O15530 1/20 0.42
▸ AOC3 Q16853 1/20 0.41
▸ HTR3E A5X5Y0 1/20 0.40
▸ HTR3B O95264 1/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ HTR3D Q70Z44 1/20 0.40
▸ HTR3C Q8WXA8 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40

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
SCHEMBL4659398 1.00 PLAAT3 (0.45) PLAAT3PLAAT5PLAAT2PLAAT4TAAR1
SCHEMBL4660520 0.84 CYP1A2 (0.43) PLAAT3PLAAT5PLAAT2PLAAT4TAAR1
SCHEMBL4660802 0.84 CYP1A2 (0.43) PLAAT3PLAAT5PLAAT2PLAAT4TAAR1
SCHEMBL20845698 0.82 ALDH1A1 (0.55) FFAR1HDAC1HDAC6HDAC3HDAC4
SCHEMBL20845697 0.82 ALDH1A1 (0.55) FFAR1HDAC1HDAC6HDAC3HDAC4
SCHEMBL22375194 0.82 ALDH1A1 (0.55) FFAR1HDAC1HDAC6HDAC3HDAC4
SCHEMBL20708183 0.79 AOC3 (0.42) PLAAT3PLAAT5PLAAT2PLAAT4TAAR1
SCHEMBL7946947 0.79 TAAR1 (0.50) PLAAT3PLAAT5PLAAT2PLAAT4TAAR1
SCHEMBL1776 0.75 ALDH1A1 (0.63) PLAAT3PLAAT5PLAAT2PLAAT4TAAR1
SCHEMBL26784352 0.75 IDO1 (0.48) PLAAT3PLAAT5PLAAT2PLAAT4TAAR1

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-2004166-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2008-12-24 — — EP disclosed
WO-2007120528-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-10-25 — — WO disclosed
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