SCHEMBL9742504

SCHEMBL9742504

CC1(C)Oc2cc(N)c([N+](=O)[O-])cc2C2OC21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPT P10636 6/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 3/20 0.43
KMT2A Q03164 3/20 0.43
MCL1 Q07820 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 5/20 0.37
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
MPI P34949 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CDK5 Q00535 1/20 0.34

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
SCHEMBL6982321 0.95 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL10347703 0.81 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL13476208 0.81 MAPT (0.38) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL2883779 0.79 ALDH1A1 (0.38) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL2882586 0.79 ALDH1A1 (0.38) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL5989140 0.79 ALDH1A1 (0.38) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL2887116 0.79 ALDH1A1 (0.38) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL3947551 0.79 ALDH1A1 (0.38) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL2882585 0.79 ALDH1A1 (0.38) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL9742503 0.78 NPSR1 (0.41) CYP1A2CYP2C9CYP2C19MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162553-A Processes for preparing optically active 3,4-dihydro-3,4-epoxy-2H-1-benzopyran compounds and intermediates therefor YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-11-10 US disclosed
US-5066816-A PROCESSES FOR PREPARING OPTICALLY ACTIVE 3,4-DIHYDRO-3,4-EPOXY-2H-1-BENZOPYRAN COMPOUNDS AND INTERMEDIATES THEREFOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-11-19 US disclosed
EP-0386640-A2 Processes for preparing optically active 3,4-dihydro-3,4-epoxy-2H-1-benzopyran compounds and intermediates therefor YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-09-12 EP disclosed