SCHEMBL11028217

SCHEMBL11028217

Cc1cccc(-c2cc[c]c(Cl)c2C)c1C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.34
ATM Q13315 1/20 0.34
NUDT1 P36639 3/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
CYP1A2 P05177 2/20 0.30
P2RX7 Q99572 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP2A6 P11509 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL5147351 0.80 TRPA1 (0.37) TRPA1ATMNUDT1RAPGEF4CYP1A2
SCHEMBL1969746 0.77
SCHEMBL218508 0.76 TRPA1 (0.52) TRPA1ATMNUDT1CYP1A2P2RX7
SCHEMBL30834716 0.76 TRPA1 (0.52) TRPA1ATMNUDT1CYP1A2P2RX7
SCHEMBL10891055 0.75 NSD2 (0.35) L3MBTL1
SCHEMBL9275545 0.74 TRPA1 (0.32) TRPA1ATM
SCHEMBL6335881 0.74 NUDT1 (0.33) TRPA1ATMNUDT1
Ammonia Solution, Strong SCHEMBL22444763 0.73 TRPA1 (0.50) TRPA1ATMNUDT1CYP1A2P2RX7
Ammonia Solution, Strong SCHEMBL15862222 0.73 TRPA1 (0.50) TRPA1ATMNUDT1CYP1A2P2RX7
Hydrogen Sulfide SCHEMBL1538405 0.73 TRPA1 (0.50) TRPA1ATMNUDT1CYP1A2P2RX7

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-0055925-B1 ALKYL N-ARYLSULFENYL-N-DIARYLOXY-PHOSPHINYLMETHYLGLYCINATES AND THEIR USE AS HERBICIDES MONSANTO COMPANY (US) 1985-01-30 EP disclosed