SCHEMBL11225522

SCHEMBL11225522

CCCCCCCCNC(=O)C1=C(C(=O)Nc2ccc(Cl)cc2F)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.47
EPHX2 P34913 1/20 0.47
CNR2 P34972 6/20 0.47
NR4A2 P43354 1/20 0.46
DHODH Q02127 1/20 0.46
CNR1 P21554 5/20 0.45
ALOX15 P16050 3/20 0.45
NPC1 O15118 1/20 0.43

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
SCHEMBL11218257 1.00 EPHX1 (0.47) EPHX1EPHX2CNR2NR4A2DHODH
SCHEMBL11228234 0.88 CDK1 (0.47) CNR2DHODHNPC1
SCHEMBL11219089 0.85 NPC1 (0.43) NR4A2DHODHNPC1
SCHEMBL11232205 0.84 DHODH (0.42) NR4A2DHODHNPC1
SCHEMBL11222537 0.84 NPC1 (0.48) DHODHNPC1
SCHEMBL11223495 0.84 MAPT (0.44) NR4A2DHODHNPC1
SCHEMBL11227158 0.83 NPSR1 (0.47) DHODHNPC1
SCHEMBL11224982 0.82 DHODH (0.54) NR4A2DHODHNPC1
SCHEMBL11225121 0.82 NPC1 (0.41) NR4A2DHODHNPC1
SCHEMBL11230602 0.81 NPC1 (0.44) NR4A2DHODHNPC1

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-4328367-A HERBICIDE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-05-04 US claimed
US-4328367-A HERBICIDE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-05-04 US disclosed