SCHEMBL6094640

SCHEMBL6094640

C=CCc1c(OC(C)=O)ccc([N+](=O)[O-])c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.53
PTGS1 P23219 1/20 0.46
ALDH1A1 P00352 6/20 0.44
GAA P10253 1/20 0.44
ALOX5 P09917 2/20 0.41
KDM4E B2RXH2 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
KMT2A Q03164 2/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
VCP P55072 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 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
SCHEMBL3938236 0.84 SRD5A1 (0.50) SRD5A1PTGS1ALDH1A1GAAALOX5
SCHEMBL6093774 0.79 SRD5A1 (0.43) SRD5A1ALDH1A1KDM4ETDP1KMT2A
SCHEMBL31571894 0.76 ALDH1A1 (0.48) ALDH1A1GAAKDM4ETDP1KMT2A
SCHEMBL31571840 0.76 ALDH1A1 (0.46) ALDH1A1GAAKDM4ETDP1KMT2A
SCHEMBL28248424 0.76 SRD5A1 (0.52) SRD5A1PTGS1ALDH1A1GAAALOX5
SCHEMBL27658679 0.76 ALDH1A1 (0.46) ALDH1A1GAATDP1KMT2AVCP
SCHEMBL47790 0.73 TSHR (0.42) ALDH1A1GAAKDM4ETDP1KMT2A
SCHEMBL47791 0.73 TSHR (0.42) ALDH1A1GAAKDM4ETDP1KMT2A
SCHEMBL10536230 0.73 PTGS1 (0.62) SRD5A1PTGS1ALDH1A1ALOX5KDM4E
SCHEMBL795687 0.72 KDM4E (0.43) SRD5A1ALDH1A1KDM4ETDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012090-B1 such as 1-(2-aminopropyl)-3,7,8,9,-tetrahydro-pyrano-[3,2-e]indol-8-ol ALCON, INC. (CH) 2006-03-14 US disclosed
CN-1203072-C Pyranoindoles for the treatment of glaucoma ALCON AG (CH) 2005-05-25 CN disclosed
CN-1451008-A Pyranoindoles for treating alaucoma ALCON AG (CH) 2003-10-22 CN disclosed
EP-1268482-B1 PYRANOINDOLES FOR TREATING GLAUCOMA ALCON INC (CH) 2003-09-24 EP disclosed
EP-1268482-A1 PYRANOINDOLES FOR TREATING GLAUCOMA Alcon Universal, Ltd. (CH) 2003-01-02 EP disclosed
WO-2001070745-A1 PYRANOINDOLES FOR TREATING GLAUCOMA ALCON, INC. (CH) 2001-09-27 WO disclosed