SCHEMBL9871935

SCHEMBL9871935

CC1(C)OC(C)(C)C(=O)C(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.44
HPGD P15428 4/20 0.43
CYP2C19 P33261 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
HPD P32754 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL998548 0.86 SMN1; SMN2 (0.43) SMN1; SMN2POLBHPGDCYP2C19CYP1A2
SCHEMBL1132003 0.86 POLB (0.45) SMN1; SMN2POLBHPGDCYP2C19CYP1A2
SCHEMBL9814693 0.85 SMN1; SMN2 (0.44) SMN1; SMN2POLBHPGDCYP2C19CYP1A2
SCHEMBL9739114 0.80 HPD (0.38) SMN1; SMN2POLBHPGDHPDLMNA
SCHEMBL9240067 0.80 HPD (0.46) SMN1; SMN2POLBHPGDCYP2C19CYP1A2
SCHEMBL9711511 0.79 SMN1; SMN2 (0.43) SMN1; SMN2POLBHPGDCYP2C19CYP1A2
SCHEMBL9711504 0.78 SMN1; SMN2 (0.41) SMN1; SMN2POLBHPGDCYP2C19CYP1A2
SCHEMBL9874527 0.78 HPD (0.42) SMN1; SMN2POLBHPGDCYP2C19CYP1A2
SCHEMBL8713774 0.77 SMN1; SMN2 (0.46) SMN1; SMN2POLBHPGDCYP2C19CYP1A2
SCHEMBL9191354 0.76 HPD (0.67) SMN1; SMN2HPGDCYP2C19CYP1A2CYP3A4

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
JP-1045377-A None JP disclosed
US-5006150-A Herbicides SANDOZ LTD. (CH) 1991-04-09 US disclosed