SCHEMBL8115153

SCHEMBL8115153

CCOC(=O)C(C)(NC(C)=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
RECQL P46063 1/20 0.58
THRB P10828 3/20 0.49
TAAR1 Q96RJ0 3/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
MMP8 P22894 1/20 0.48
PIN1 Q13526 1/20 0.46
PKM P14618 2/20 0.46
KDM4E B2RXH2 1/20 0.46
APP P05067 1/20 0.45
MAPT P10636 6/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.42
KCNN4 O15554 1/20 0.42

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
SCHEMBL8105819 0.84 ALDH1A1 (0.45) ALDH1A1RECQLTHRBTAAR1HTT
SCHEMBL1448419 0.83 KCNN4 (0.56) ALDH1A1RECQLMEN1TSHRKMT2A
SCHEMBL7619320 0.81 MMP8 (0.43) ALDH1A1RECQLTHRBTAAR1MMP8
Hydrochloric Acid SCHEMBL5967099 0.80 MMP8 (0.42) ALDH1A1RECQLTHRBTAAR1MMP8
SCHEMBL19663910 0.79 MMP8 (0.46) ALDH1A1RECQLTHRBHTTMEN1
SCHEMBL8906360 0.79 MMP8 (0.43) ALDH1A1RECQLTHRBTAAR1MEN1
SCHEMBL11684190 0.78 HDAC3 (0.43) ALDH1A1RECQLTSHRKMT2AKDM4E
SCHEMBL21807366 0.78 HDAC3 (0.46) ALDH1A1RECQLTSHRKMT2AMMP8
SCHEMBL28250865 0.78 HDAC3 (0.46) ALDH1A1RECQLTSHRKMT2AMMP8
SCHEMBL2653063 0.77 SMN1; SMN2 (0.45) THRBKMT2AMMP8PIN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0642502-B1 FUNGICIDAL IMIDAZOLINONES DU PONT (US) 2000-07-12 EP disclosed
EP-1008589-A1 Fungicidal imidazolinones E.I. DU PONT DE NEMOURS & COMPANY INCORPORATED (US) 2000-06-14 EP disclosed
EP-0642502-A1 FUNGICIDAL IMIDAZOLINONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-03-15 EP disclosed
WO-1993024467-A1 FUNGICIDAL IMIDAZOLINONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-12-09 WO disclosed