SCHEMBL11232205

SCHEMBL11232205

CC(=O)OCCCNC(=O)C1=C(C(=O)Nc2ccc(Cl)cc2F)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.42
NR4A2 P43354 5/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
PKM P14618 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40

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
SCHEMBL11228234 0.85 CDK1 (0.47) DHODHNPC1RAB9AKMT2AALDH1A1
SCHEMBL11218257 0.84 EPHX1 (0.47) DHODHNR4A2NPC1
SCHEMBL11225522 0.84 EPHX1 (0.47) DHODHNR4A2NPC1
SCHEMBL11222537 0.82 NPC1 (0.48) DHODHNPC1RAB9APKMRXFP1
SCHEMBL11227158 0.81 NPSR1 (0.47) DHODHNPC1RAB9AKMT2AALDH1A1
SCHEMBL11219089 0.80 NPC1 (0.43) DHODHNR4A2NPC1RAB9APKM
SCHEMBL11223495 0.79 MAPT (0.44) DHODHNR4A2NPC1RAB9APKM
SCHEMBL11219153 0.79 ALDH1A1 (0.46) DHODHNR4A2NPC1RAB9APKM
SCHEMBL11230602 0.79 NPC1 (0.44) DHODHNR4A2NPC1RAB9APKM
SCHEMBL11236589 0.78 KMT2A (0.48) DHODHNR4A2NPC1RAB9APKM

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

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