SCHEMBL9834356

SCHEMBL9834356

C=C(C)C(OC(=O)Nc1ccc(F)cc1F)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
PKM P14618 4/20 0.45
SMN1; SMN2 Q16637 7/20 0.45
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
CYP2C19 P33261 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.44
POLB P06746 3/20 0.43
RECQL P46063 1/20 0.43
MAPT P10636 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EGFR P00533 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
SCHEMBL9836230 0.88 SMN1; SMN2 (0.46) HTTPKMSMN1; SMN2NPC1RAB9A
SCHEMBL27309652 0.81 MEN1 (0.43) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL27313983 0.79 KDM4E (0.49) NPC1RAB9AALDH1A1GAAMAPT
SCHEMBL27522368 0.78 MAPT (0.46) HTTPKMSMN1; SMN2NPC1RAB9A
SCHEMBL9835865 0.76 USP2 (0.48) NPC1RAB9AALDH1A1GAAMAPT
SCHEMBL9833989 0.76 RXFP1 (0.41) PKMSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9835593 0.76 NPSR1 (0.47) ALDH1A1L3MBTL1
SCHEMBL2015592 0.75 HTT (0.62) HTTPKMSMN1; SMN2NPC1RAB9A
SCHEMBL9835414 0.74 MAPT (0.42) SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1
SCHEMBL9836062 0.73 NAPRT (0.47) HTTSMN1; SMN2NPC1RAB9ACYP2C19

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
CN-86108416-A Oxazolidinedione derivative, process for producing the same, and herbicide containing the same 1987-07-29 CN disclosed