SCHEMBL9837050

SCHEMBL9837050

CC(C)(C)Oc1ccc(NC(=O)Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
TRPV1 Q8NER1 3/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
GLA P06280 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 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
SCHEMBL2093074 0.83 EPHX2 (0.50) EPHX2TRPV1CYP1A2CYP3A4CYP2D6
Butacetin SCHEMBL26351 0.83 MEN1 (0.63) EPHX2CYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL2093071 0.83 EPHX2 (0.50) EPHX2TRPV1CYP1A2CYP3A4CYP2D6
SCHEMBL28286765 0.81 EPHX2 (0.73) EPHX2TRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL13817775 0.81 L3MBTL1 (0.70) EPHX2TRPV1CYP1A2CYP3A4CYP2D6
SCHEMBL8966042 0.81 EPHX2 (0.73) EPHX2TRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL10769858 0.81 ALDH1A1 (0.59) EPHX2TRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL2092785 0.81 SMN1; SMN2 (0.59) EPHX2TRPV1CYP1A2CYP2D6CYP2C19
SCHEMBL1176731 0.81 EPHX2 (0.49) EPHX2TRPV1CYP1A2CYP3A4CYP2D6
SCHEMBL13945698 0.81 EPHX2 (0.57) EPHX2CYP1A2CYP3A4CYP2D6CYP2C19

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