SCHEMBL9837732

SCHEMBL9837732

C=C(c1ccc(F)cc1)C(OC(=O)Nc1cc(OC(C)C)c(Cl)cc1F)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 1/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
RORC P51449 1/20 0.36
DHODH Q02127 5/20 0.36
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
P2RX3 P56373 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL27344658 0.91 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EKCNQ3KCNQ2ALDH1A1
SCHEMBL9835444 0.87 RORC (0.39) KDM4EKCNQ3KCNQ2ALDH1A1HPGD
SCHEMBL9836339 0.82 DHODH (0.40) KCNQ3KCNQ2ALDH1A1RORCDHODH
SCHEMBL9836714 0.81 LMNA (0.41) SMN1; SMN2ALDH1A1HPGDRORCDHODH
SCHEMBL9836348 0.77 RORC (0.37) SMN1; SMN2KCNQ3KCNQ2ALDH1A1HPGD
SCHEMBL9835450 0.77 NPSR1 (0.43) SMN1; SMN2KDM4EALDH1A1HPGDNPC1
SCHEMBL27314992 0.77 DHODH (0.37) SMN1; SMN2KCNQ3KCNQ2HPGDRORC
SCHEMBL9835245 0.76 MEN1 (0.46) SMN1; SMN2KDM4EALDH1A1HPGDNPC1
SCHEMBL8998058 0.75 LMNA (0.34) SMN1; SMN2KDM4EALDH1A1HPGDRORC
SCHEMBL9619955 0.75 PPOX (0.42) KDM4EALDH1A1HPGDRORCDHODH

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 2 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