SCHEMBL8065593

SCHEMBL8065593

CCC(C)(NC(=O)c1ccc(N)cc1)C(=O)CCl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.45
LMNA P02545 5/20 0.44
SLC22A2 O15244 1/20 0.44
SLC22A1 O15245 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
ACHE P22303 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
EPHX2 P34913 2/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 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
SCHEMBL287961 0.87 ALDH1A1 (0.49) LMNAALDH1A1MAPTPOLBMEN1
SCHEMBL7684116 0.85 ALDH1A1 (0.50) LMNAALDH1A1KDM4EMAPTPOLB
SCHEMBL4186853 0.83 HDAC8 (0.38) LMNAALDH1A1KDM4EMAPTPOLB
SCHEMBL8060073 0.82 ESR1 (0.40) ESRRGLMNAALDH1A1MEN1KMT2A
SCHEMBL8058869 0.82 MAPT (0.59) ESRRGLMNAALDH1A1TSHRKDM4E
SCHEMBL8048361 0.81 POLB (0.36) CYP2C19KDM4EPOLBMEN1KMT2A
SCHEMBL8048418 0.81 CACNA1H (0.37)
SCHEMBL8048504 0.81 HDAC3 (0.53) LMNAALDH1A1MAPTPOLBMEN1
SCHEMBL7527475 0.80 HSD11B1 (0.38) LMNAALDH1A1TSHRCYP2C19EPHX2
SCHEMBL8048655 0.80 HTT (0.33) ESRRGLMNAALDH1A1CYP2C19POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10095756-A None JP disclosed
EP-0816331-B1 Fungicidally active n-acetonylbenzamide compounds ROHM & HAAS (US) 2000-05-24 EP disclosed
US-5929098-A Fungicidically active N-acetonylbenzamide compounds ROHM AND HAAS COMPANY (US) 1999-07-27 US disclosed
JP-H1095756-A N-ACETONYL BENZAMIDE COMPOUND HAVING ANTIMICROBIAL ACTIVITY ROHM & HAAS CO 1998-04-14 JP disclosed
EP-0816331-A1 Fungicidally active n-acetonylbenzamide compounds ROHM AND HAAS COMPANY (US) 1998-01-07 EP disclosed