SCHEMBL29705676

SCHEMBL29705676

O=CCOc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
POLB P06746 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAOB P27338 2/20 0.52
AOC3 Q16853 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.50
MAPT P10636 1/20 0.48
NR4A2 P43354 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 1/20 0.46
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL584635 1.00 KDM4E (0.54) KDM4EL3MBTL1POLBALDH1A1MAOB
SCHEMBL817396 0.83 MAOB (0.52) KDM4EL3MBTL1POLBALDH1A1MAOB
SCHEMBL30586063 0.82 L3MBTL1 (0.57) KDM4EL3MBTL1POLBALDH1A1MAOB
SCHEMBL2093115 0.80 KDM4E (0.58) KDM4EL3MBTL1POLBALDH1A1MAOB
SCHEMBL9797421 0.80 L3MBTL1 (0.51) KDM4EL3MBTL1POLBALDH1A1MAOB
SCHEMBL11515037 0.80 MAOB (0.50) KDM4EL3MBTL1POLBALDH1A1MAOB
SCHEMBL7762046 0.80 L3MBTL1 (0.55) KDM4EL3MBTL1POLBALDH1A1MAOB
SCHEMBL9811694 0.80 L3MBTL1 (0.51) KDM4EL3MBTL1POLBALDH1A1MAOB
SCHEMBL23163670 0.79 CHRM2 (0.47) MAOBMRGPRX4PPARG
SCHEMBL29705642 0.79 CHRM2 (0.47) MAOBMRGPRX4PPARG

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
CN-110143932-B Piperazinone derivatives, process for producing the same, inhibitor, and method for controlling root-parasitic weeds 南开大学 2022-09-16 CN disclosed
EP-4038052-A2 PROSTAGLANDIN E2 (PGE2) EP4 RECEPTOR ANTAGONISTS Domain Therapeutics (FR) 2022-08-10 EP disclosed
CN-114555573-A Prostaglandin E2(PGE2)EP4Receptor antagonists 多曼治疗学公司 2022-05-27 CN disclosed