SCHEMBL6093774

SCHEMBL6093774

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 5/20 0.41
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
CTSB P07858 2/20 0.40
CYP3A4 P08684 2/20 0.40
TP53 P04637 2/20 0.40
HIF1A Q16665 1/20 0.40
CTSH P09668 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 2/20 0.39
EGFR P00533 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL7172390 0.83 GPR35 (0.46) SRD5A1TDP1TSHRHPGDSMN1; SMN2
SCHEMBL4358720 0.81 ALDH5A1 (0.44) SRD5A1TDP1TSHRHPGDSMN1; SMN2
SCHEMBL6094640 0.79 SRD5A1 (0.53) SRD5A1TDP1TSHRHPGDSMN1; SMN2
SCHEMBL428326 0.78 GPR35 (0.42) TDP1TSHRCYP3A4ALDH1A1HSD17B10
SCHEMBL3258910 0.78 GPR35 (0.51) SRD5A1TDP1TSHRHPGDSMN1; SMN2
SCHEMBL10010839 0.77 SRD5A1 (0.46) SRD5A1HPGDCYP3A4ALDH1A1POLB
SCHEMBL6591933 0.74 SRD5A1 (0.47) SRD5A1HPGDCYP3A4ALDH1A1POLB
SCHEMBL1896801 0.74 TDP1 (0.56) TDP1TSHRHPGDSMN1; SMN2CTSB
SCHEMBL11118423 0.73 GABRA1 (0.48) SRD5A1HPGDCYP3A4ALDH1A1POLB
SCHEMBL11758387 0.73 DTYMK (0.44) TDP1TSHRCYP3A4ALDH1A1GPR35

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