SCHEMBL9835865

SCHEMBL9835865

C=C(C)C(OC(=O)Nc1ccc(Cl)cc1Cl)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CASP3 P42574 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
KDM4E B2RXH2 3/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL9834529 0.88 USP2 (0.50) USP2HPGDALDH1A1CASP3NPC1
SCHEMBL9835414 0.87 MAPT (0.42) USP2HPGDALDH1A1CASP3NPC1
SCHEMBL9836020 0.86 ALDH1A1 (0.49) USP2HPGDALDH1A1CASP3NPC1
SCHEMBL11794832 0.79 HPGD (0.59) USP2HPGDALDH1A1CASP3NPC1
SCHEMBL9836882 0.78 EPHX1 (0.46) HPGDALDH1A1CASP3L3MBTL1PDK1
SCHEMBL9837121 0.78 GAA (0.46) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL27311663 0.77 HTT (0.48) HPGDALDH1A1NPC1RAB9AKDM4E
SCHEMBL27309659 0.77 RORC (0.41) HPGDALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL27325179 0.77 KMT2A (0.50) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL9834356 0.76 HTT (0.47) ALDH1A1NPC1RAB9AL3MBTL1KDM4E

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
EP-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 US disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 US disclosed