SCHEMBL7462133

SCHEMBL7462133

[NH]C(C(=O)O)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.44
ALDH1A1 P00352 2/20 0.41
DPP4 P27487 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
EPHX2 P34913 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL8392522 0.78 EPHX1 (0.43) EPHX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8395750 0.78 EPHX1 (0.43) EPHX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8391169 0.75 EPHX1 (0.39) EPHX1ALDH1A1DPP4NPC1RAB9A
SCHEMBL10660120 0.74 EPHX1 (0.61) EPHX1ALDH1A1DPP4NPC1RAB9A
SCHEMBL66996 0.74 EPHX1 (0.61) EPHX1ALDH1A1DPP4NPC1RAB9A
SCHEMBL431289 0.74 EPHX1 (0.48) EPHX1ALDH1A1DPP4NPC1RAB9A
SCHEMBL15668891 0.74 EPHX1 (0.48) EPHX1ALDH1A1DPP4NPC1RAB9A
SCHEMBL14456397 0.74 EPHX1 (0.48) EPHX1ALDH1A1DPP4NPC1RAB9A
SCHEMBL17316191 0.74 EPHX1 (0.61) EPHX1ALDH1A1DPP4NPC1RAB9A
SCHEMBL7120046 0.74 EPHX1 (0.48) EPHX1ALDH1A1DPP4NPC1RAB9A

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
EP-0923562-B1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AG (DE) 2002-10-09 EP disclosed
US-6444616-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-09-03 US disclosed
US-6130225-A Substituted p-trifluoromethylphenyluracils BAYER AKTIENGESELLSCHAFT (DE) 2000-10-10 US disclosed
EP-0923562-A1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AG (DE) 1999-06-23 EP disclosed
WO-1998006706-A1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AKTIENGESELLSCHAFT (DE) 1998-02-19 WO disclosed