SCHEMBL7700908

SCHEMBL7700908

CCOC(=O)C1CCOc2c(SC)cccc2C1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
TSHR P16473 6/20 0.35
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
MGAM O43451 1/20 0.35
AMY1A P0DUB6 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL7384142 0.87 ADRA2A (0.39) SLC18A2TSHRALDH1A1CYP1A2CYP2C19
SCHEMBL7694457 0.86 CA1 (0.39) SLC18A2TSHRALDH1A1CYP1A2CYP2C19
SCHEMBL7377280 0.85 KDM4E (0.42) TSHRALDH1A1CYP2C19MAPTPKM
SCHEMBL7386441 0.85 SLC18A2 (0.36) SLC18A2TSHRCYP1A2CYP2C19MAPT
SCHEMBL7388475 0.83 NLRP3 (0.36) SLC18A2SLC6A2SLC6A4TSHRALDH1A1
SCHEMBL7417781 0.82 TSHR (0.41) SLC18A2SLC6A2SLC6A4TSHRALDH1A1
SCHEMBL7381343 0.80 TRPV1 (0.40) SLC18A2TSHRALDH1A1MAPTGAA
SCHEMBL7701186 0.76 ALDH1A1 (0.42) SLC6A2SLC6A4TSHRALDH1A1MAPT
SCHEMBL7388883 0.73 MAP3K14 (0.52) TSHRALDH1A1MAPTLMNAKDM4E
SCHEMBL7527688 0.72 KDM4C (0.41) SLC6A2TSHRALDH1A1MAPTCYP4F2

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-6346527-B1 1-BENZOXEPIN DERIVATIVES USED IN THE PREVENTION OF SODIUM AND HYDROGEN ION EXCHANGE; CARDIOVASCULAR, KIDNEY AND BRAIN DISORDER TREATMENT; ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-12 US disclosed
EP-1073650-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-07 EP disclosed
WO-1999055690-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-04 WO disclosed