SCHEMBL8908394

SCHEMBL8908394

CCOP(=O)(OCC)c1ccc(CN2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.57
EHMT2 Q96KQ7 1/20 0.57
HRH1 P35367 1/20 0.50
KCNH2 Q12809 6/20 0.48
GPR119 Q8TDV5 4/20 0.46
TEAD1 P28347 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SIGMAR1 Q99720 2/20 0.43
SLC6A5 Q9Y345 1/20 0.41

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
SCHEMBL7472446 0.78 DNMT1 (0.58) DNMT1EHMT2HRH1KCNH2ALDH1A1
SCHEMBL8488631 0.76 DNMT1 (0.54) DNMT1EHMT2HRH1KCNH2GPR119
SCHEMBL15033032 0.76 HRH3 (0.41) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8200558 0.76 KCNH2 (0.67) DNMT1EHMT2HRH1KCNH2KDM4E
SCHEMBL2958029 0.75 TDP1 (0.40)
SCHEMBL7997652 0.75 DNMT1 (0.60) DNMT1EHMT2HRH1KCNH2GPR119
SCHEMBL7995588 0.74 DNMT1 (0.56) DNMT1EHMT2HRH1KCNH2SLC6A5
SCHEMBL8948477 0.73 DNMT1 (0.61) DNMT1EHMT2HRH1KCNH2GPR119
SCHEMBL8792369 0.73 TSHR (0.55) DNMT1EHMT2HRH1KCNH2TEAD1
SCHEMBL29434969 0.73 DNMT1 (1.00) DNMT1EHMT2HRH1KCNH2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639763-A FOR AGRICULTURAL APPLICATIONS FMC CORPORATION (US) 1997-06-17 US disclosed
US-5569664-A AGRICULTURAL INSECTICIDES FMC CORPORATION (US) 1996-10-29 US disclosed