SCHEMBL8979359

SCHEMBL8979359

O=Cc1cc(Cl)cc(C(=O)Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.41
ERN1 O75460 4/20 0.39
UNG P13051 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HCAR1 Q9BXC0 1/20 0.36
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAOB P27338 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
PARP1 P09874 1/20 0.31

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
SCHEMBL28457775 0.87 UNG (0.43) UNGHSD17B10ALDH1A1RAB9A
SCHEMBL14933684 0.87 UNG (0.43) UNGHSD17B10ALDH1A1RAB9A
SCHEMBL8979368 0.83 TPMT (0.64) TPMTERN1UNGHSD17B10HCAR1
SCHEMBL3358922 0.79 TPMT (0.55) TPMTHSD17B10HCAR1ALDH1A1RAB9A
SCHEMBL93282 0.79 TPMT (0.62) TPMTHSD17B10HCAR1RAB9ACYP1A2
SCHEMBL8979335 0.78 TPMT (0.40) TPMTERN1UNGHSD17B10HCAR1
SCHEMBL3365862 0.77 ALDH1A1 (0.55) ERN1ALDH1A1RAB9A
SCHEMBL30546183 0.77 ALDH1A1 (0.55) ERN1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL28632192 0.77 TPMT (0.59) TPMTHSD17B10HCAR1RAB9ACYP1A2
SCHEMBL42392 0.77 HSD17B10 (0.52) TPMTERN1HSD17B10ALDH1A1

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-0604019-B1 N-Acetonylbenzamides and their use as fungicides ROHM & HAAS (US) 1996-05-08 EP disclosed
EP-0604019-A1 N-Acetonylbenzamides and their use as fungicides ROHM AND HAAS COMPANY (US) 1994-06-29 EP disclosed
US-5254584-A Controlling phytopathogens ROHM AND HAAS COMPANY (US) 1993-10-19 US disclosed