SCHEMBL9836020

SCHEMBL9836020

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
CASP3 P42574 1/20 0.45
NPC1 O15118 2/20 0.43
EGFR P00533 1/20 0.43
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 4/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TP53 P04637 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL9835865 0.86 USP2 (0.48) ALDH1A1USP2HPGDCASP3NPC1
SCHEMBL10560773 0.79 TDP1 (0.46) ALDH1A1HPGDNPC1RAB9AMAPT
SCHEMBL11794832 0.78 HPGD (0.59) ALDH1A1USP2HPGDCASP3NPC1
SCHEMBL27676769 0.77 KMT2A (0.49) ALDH1A1HPGDL3MBTL1MAPTMEN1
SCHEMBL9834529 0.77 USP2 (0.50) ALDH1A1USP2HPGDCASP3NPC1
SCHEMBL9866362 0.77 NPC1 (0.39) ALDH1A1HPGDNPC1RAB9AL3MBTL1
SCHEMBL9834634 0.76 CASP3 (0.47) ALDH1A1USP2HPGDCASP3NPC1
SCHEMBL27368069 0.74 PTGS2 (0.33)
SCHEMBL2095473 0.74 HPGD (0.58) ALDH1A1USP2HPGDNPC1RAB9A
SCHEMBL9835414 0.73 MAPT (0.42) ALDH1A1USP2HPGDCASP3NPC1

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 4 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
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 EP disclosed