SCHEMBL4032191

SCHEMBL4032191

CC1(C)Oc2c(cc(F)cc2[N+](=O)[O-])[C@@H]2OC21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ESPL1 Q14674 1/20 0.32
NQO1 P15559 1/20 0.32
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
IDO1 P14902 2/20 0.31
HIF1A Q16665 1/20 0.30

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
SCHEMBL3952226 1.00 PGR (0.37) PGRALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL12961906 1.00 PGR (0.37) PGRALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3945678 1.00 PGR (0.37) PGRALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3945682 1.00 PGR (0.37) PGRALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL13951476 0.75 IDO1 (0.32) IDO1
SCHEMBL10435417 0.74 CYP3A4 (0.36) ALDH1A1CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL5991033 0.74 TDP1 (0.45) ALDH1A1CYP2C9TDP1IDO1
SCHEMBL2889197 0.74 TDP1 (0.45) ALDH1A1CYP2C9TDP1IDO1
SCHEMBL2889195 0.74 TDP1 (0.45) ALDH1A1CYP2C9TDP1IDO1
SCHEMBL10347703 0.70 CYP1A2 (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19IDO1

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
EP-2003135-A9 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-04-22 EP disclosed
EP-2003135-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2008-12-17 EP disclosed