SCHEMBL9836837

SCHEMBL9836837

C=C(C)C(OC(=O)Nc1ccc(C)cc1)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 5/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
TGM2 P21980 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL9835566 0.87 ALDH1A1 (0.44) RAB9ASMN1; SMN2NPC1CYP1A2CYP2D6
SCHEMBL9836424 0.87 MAPT (0.52) RAB9ASMN1; SMN2NPC1CYP1A2CYP2D6
SCHEMBL9836146 0.87 GAA (0.44) TDP1RAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL9836379 0.87 SMN1; SMN2 (0.61) RAB9ASMN1; SMN2NPC1CYP1A2CYP2D6
SCHEMBL9833996 0.87 SMN1; SMN2 (0.45) TDP1RAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL9836391 0.85 RAB9A (0.45) RAB9ASMN1; SMN2NPC1CYP1A2CYP2D6
SCHEMBL9834886 0.83 EPHX2 (0.46) RAB9ASMN1; SMN2NPC1CYP1A2CYP2D6
SCHEMBL9836912 0.83 SMN1; SMN2 (0.40) RAB9ASMN1; SMN2NPC1CYP1A2CYP2D6
SCHEMBL9835388 0.82 KMT2A (0.48) TDP1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL9836291 0.81 KMT2A (0.44) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT

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