SCHEMBL9837072

SCHEMBL9837072

C=C(C)C(OC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
SLC13A3 Q8WWT9 1/20 0.42
TRPA1 O75762 1/20 0.42
ALDH1A1 P00352 2/20 0.41
P2RX1 P51575 5/20 0.41
TMPRSS4 Q9NRS4 2/20 0.41
TACR1 P25103 2/20 0.40
GPR35 Q9HC97 1/20 0.40
JUN P05412 3/20 0.40
NFKB1 P19838 3/20 0.40
NFKB2 Q00653 3/20 0.40
RELA Q04206 3/20 0.40
LMNA P02545 1/20 0.40
ACP1 P24666 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL9835063 0.92 TMPRSS4 (0.46) MAPTSLC13A3TRPA1P2RX1TMPRSS4
SCHEMBL9835627 0.88 SMN1; SMN2 (0.52) MAPTALDH1A1LMNA
SCHEMBL9834886 0.87 EPHX2 (0.46) ALDH1A1LMNA
SCHEMBL9837102 0.81 KMT2A (0.49) MAPTALDH1A1LMNAMAPK1
SCHEMBL9835786 0.80 HPGD (0.43) MAPTSLC13A3ALDH1A1MAPK1
SCHEMBL9837187 0.79 AR (0.46)
SCHEMBL9834855 0.79 HPGD (0.35) MAPTALDH1A1LMNAMAPK1
SCHEMBL9835566 0.77 ALDH1A1 (0.44) MAPTALDH1A1MAPK1
SCHEMBL9833996 0.76 SMN1; SMN2 (0.45) MAPTALDH1A1LMNA
SCHEMBL9837321 0.75 LMNA (0.41) MAPTALDH1A1P2RX1LMNAMAPK1

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