SCHEMBL9837102

SCHEMBL9837102

C=C(C)C(OC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
CYP1A2 P05177 5/20 0.49
CYP2C19 P33261 4/20 0.49
MAPT P10636 4/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2C9 P11712 1/20 0.49
LMNA P02545 3/20 0.48
THRB P10828 1/20 0.48
CYP2D6 P10635 3/20 0.48
MEN1 O00255 4/20 0.47
HPGD P15428 4/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHRNA7 P36544 1/20 0.45

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
SCHEMBL27325179 0.90 KMT2A (0.50) KMT2ACYP1A2CYP2C19MAPTCYP3A4
SCHEMBL9836642 0.88 KMT2A (0.48) KMT2ACYP1A2CYP2C19MAPTCYP3A4
SCHEMBL9836882 0.84 EPHX1 (0.46) KMT2ACYP1A2CYP2C19MAPTCYP3A4
SCHEMBL9834379 0.84 MAPT (0.52) KMT2ACYP1A2CYP2C19MAPTCYP3A4
SCHEMBL9836328 0.82 TDP1 (0.44) KMT2ACYP1A2CYP2C19MAPTCYP3A4
SCHEMBL9837008 0.82 L3MBTL1 (0.48) KMT2ACYP1A2CYP2C19MAPTCYP3A4
SCHEMBL9837072 0.81 MAPT (0.46) MAPTLMNAMAPK1ALDH1A1
SCHEMBL9834886 0.81 EPHX2 (0.46) KMT2ACYP1A2CYP2C19CYP2C9LMNA
SCHEMBL9836565 0.81 MAPT (0.49) KMT2AMAPTTHRBMEN1GAA
SCHEMBL27676769 0.80 KMT2A (0.49) KMT2ACYP1A2CYP2C19MAPTCYP3A4

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