SCHEMBL9814693

SCHEMBL9814693

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
HPD P32754 1/20 0.42
POLB P06746 1/20 0.40
HPGD P15428 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL9871935 0.85 SMN1; SMN2 (0.48) SMN1; SMN2HPDPOLBHPGDCYP2C19
SCHEMBL9240067 0.82 HPD (0.46) SMN1; SMN2HPDPOLBHPGDCYP2C19
SCHEMBL9874527 0.80 HPD (0.42) SMN1; SMN2HPDPOLBHPGDCYP2C19
SCHEMBL998548 0.79 SMN1; SMN2 (0.43) SMN1; SMN2HPDPOLBHPGDCYP2C19
SCHEMBL1132003 0.79 POLB (0.45) SMN1; SMN2HPDPOLBHPGDCYP2C19
SCHEMBL9191354 0.77 HPD (0.67) SMN1; SMN2HPDHPGDCYP2C19CYP1A2
SCHEMBL9711461 0.76 HPD (0.42) SMN1; SMN2HPDPOLBHPGDCYP2C19
SCHEMBL9711504 0.76 SMN1; SMN2 (0.41) SMN1; SMN2HPDPOLBHPGDCYP2C19
SCHEMBL9711511 0.75 SMN1; SMN2 (0.43) SMN1; SMN2HPDPOLBHPGDCYP2C19
SCHEMBL8011992 0.74 HPD (0.43) SMN1; SMN2HPDPOLBHPGDCYP2C19

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-0255584-B1 CERTAIN SUBSTITUTED 4-BEZOYL-3,5-DIOXOTETRAHYDROPYRANS AND THIOPYRANS STAUFFER CHEMICAL COMPANY (US) 1991-09-25 EP disclosed
US-4786309-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1988-11-22 US disclosed
US-4777272-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1988-10-11 US disclosed
US-4728745-A PRE- AND POSTEMERGENCE STAUFFER CHEMICAL COMPANY (US) 1988-03-01 US disclosed