SCHEMBL8979335

SCHEMBL8979335

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.40
ERN1 O75460 2/20 0.38
UNG P13051 1/20 0.37
CYP2A6 P11509 1/20 0.37
HCAR1 Q9BXC0 1/20 0.35
SRC P12931 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
GLA P06280 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ATM Q13315 1/20 0.32
POLB P06746 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
SCHEMBL14933684 0.85 UNG (0.43) UNGCYP2A6SRCALDH1A1HSD17B10
SCHEMBL28457775 0.85 UNG (0.43) UNGCYP2A6SRCALDH1A1HSD17B10
SCHEMBL10419907 0.82 ERN1 (0.36) TPMTERN1UNGCYP2A6HCAR1
SCHEMBL1174923 0.82 TPMT (0.64) TPMTERN1UNGCYP2A6HCAR1
SCHEMBL8375824 0.82 TPMT (0.41) TPMTERN1UNGCYP2A6HCAR1
SCHEMBL347092 0.80 TPMT (0.59) TPMTHCAR1ALDH1A1HPGDGLA
SCHEMBL4360630 0.80 TPMT (0.52) TPMTHCAR1ALDH1A1HPGDATM
SCHEMBL15128818 0.80 PARP1 (0.47) TPMTERN1UNGCYP2A6HCAR1
SCHEMBL8979359 0.78 TPMT (0.41) TPMTERN1UNGHCAR1ALDH1A1
SCHEMBL3934286 0.77 MMP13 (0.40) TPMTERN1UNGSRCALDH1A1

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