SCHEMBL10454604

SCHEMBL10454604

CC(CC=CO)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.46
▸ TAAR1 Q96RJ0 6/20 0.45
▸ SIGMAR1 Q99720 4/20 0.45
▸ SLC6A2 P23975 2/20 0.45
▸ MAOA P21397 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ CYP2A6 P11509 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ CYP2D6 P10635 2/20 0.42
▸ SLC18A2 Q05940 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL10454603 1.00 TRPA1 (0.46) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL27675011 0.90 MME (0.42) CYP2D6CYP1A2
SCHEMBL27466806 0.83 ACACB (0.36) TAAR1SLC6A2CYP2A6CYP1A2
SCHEMBL27489801 0.81 IDO1 (0.42) TAAR1CYP2D6MEN1KMT2ATSHR
SCHEMBL22190437 0.79 HTR2A (0.59) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL21569429 0.79 HTR2A (0.59) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL4785594 0.76 SIGMAR1 (0.64) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL25209356 0.76 TAAR1 (0.53) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL1071466 0.76 TAAR1 (0.48) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL11518916 0.76 TAAR1 (0.48) TRPA1TAAR1SIGMAR1SLC6A2MAOA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0111105-B1 UNSATURATED AROMATIC AMIDES AS PESTICIDES THE WELLCOME FOUNDATION LIMITED (GB) 1990-12-05 — — EP disclosed
US-4931469-A APPLYING UNSATURATED PHENYL AMIDES; FOR ACARINA BURROUGHS WELLCOME CO. (US) 1990-06-05 — — US disclosed
US-4855086-A MITICIDES, INSECTICIDES BURROUGHS WELLCOME CO. (US) 1989-08-08 — — US disclosed
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