SCHEMBL9874629

SCHEMBL9874629

CC1(C)OC(C)(C)C(OC(=O)c2ccccc2)=C(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CES2 O00748 1/20 0.37
KDM1A O60341 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9872626 0.87 SMN1; SMN2 (0.39) HPGDCYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL9739103 0.85 CA12 (0.38) RAB9ANPC1MAPTALDH1A1CES2
SCHEMBL9874689 0.85 SMN1; SMN2 (0.41) HPGDCYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL11289155 0.73 HPGD (0.59) HPGDCYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL9738311 0.70 KMT2A (0.32) RAB9ANPC1MAPTPOLBALDH1A1
Alcohol SCHEMBL27634214 0.70 HPGD (0.56) HPGDCYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL27727201 0.70 MAPT (0.52) HPGDCYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL9873308 0.70 MAPT (0.43) HPGDCYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL27629164 0.68 HPGD (0.53) HPGDCYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL11301098 0.67 HPGD (0.59) HPGDCYP1A2CYP3A4CYP2C19RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006150-A Herbicides SANDOZ LTD. (CH) 1991-04-09 US disclosed