SCHEMBL9835147

SCHEMBL9835147

C=C(C)C(OC(=O)Nc1ccc(Br)cc1C(F)(F)F)C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.37
KDR P35968 1/20 0.37
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
NOTUM Q6P988 2/20 0.34
ALDH1A1 P00352 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PTGFR P43088 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
GAA P10253 2/20 0.33
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ATM Q13315 1/20 0.32
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL9835199 0.84 NPC1 (0.39) RAB9ASMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL9835212 0.83 POLB (0.46) RAB9ASMN1; SMN2ALDH1A1GAAHTT
SCHEMBL9836886 0.83 ALDH1A1 (0.45) SMN1; SMN2TP53MAPTALDH1A1GAA
SCHEMBL9833989 0.78 RXFP1 (0.41) RAB9ASMN1; SMN2MAPTALDH1A1GAA
SCHEMBL9836146 0.76 GAA (0.44) RAB9ASMN1; SMN2MAPTALDH1A1CYP1A2
SCHEMBL9837187 0.76 AR (0.46) KDR
SCHEMBL6333634 0.75 CYP1A2 (0.54) RAB9ASMN1; SMN2TP53MAPTALDH1A1
SCHEMBL9867843 0.75 MEN1 (0.41) RAB9ASMN1; SMN2MAPTALDH1A1GAA
SCHEMBL31128806 0.75 TDP1 (0.43) EGFRKDRRAB9ASMN1; SMN2TP53
SCHEMBL9836230 0.75 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2TP53MAPTALDH1A1

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