SCHEMBL7736588

SCHEMBL7736588

CC(=O)Oc1cccc2c1OCCN2CCSCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.42
PTGS2 P35354 2/20 0.40
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 3/20 0.38
KDM4E B2RXH2 1/20 0.36
AR P10275 1/20 0.35
HTR1A P08908 1/20 0.35
SLC6A4 P31645 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL7737672 0.78 PTGIR (0.44) PTGIRSLC6A4
SCHEMBL7737194 0.72 PTGIR (0.56) PTGIRCYSLTR2CYSLTR1ALDH1A1KDM4E
SCHEMBL7730002 0.69 PTGIR (0.55) PTGIRCYSLTR2CYSLTR1ALDH1A1TSHR
SCHEMBL7730063 0.69 PTGIR (0.55) PTGIRCYSLTR2CYSLTR1ALDH1A1TSHR
SCHEMBL7737347 0.69 PTGIR (0.57) PTGIRCYSLTR2CYSLTR1ALDH1A1KDM4E
SCHEMBL7736474 0.68 PPARD (0.44) PTGIRALDH1A1CYP2C19NPC1RAB9A
SCHEMBL18783862 0.68 PTGIR (0.41) PTGIRCYSLTR2CYSLTR1ALDH1A1GAA
SCHEMBL7736507 0.67 PTGIR (0.63) PTGIRCYSLTR2CYSLTR1ALDH1A1TSHR
SCHEMBL7737053 0.67 HTR1A (0.49) PTGIRTSHRHTR1ASLC6A4MAPT
SCHEMBL7739724 0.66 PTGIR (0.54) PTGIRCYSLTR2CYSLTR1TSHRHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407096-B1 1,4-BENZOTHIAZINE AND 1,4-BENZOXAZINE DERIVATIVES; HYPOTENSIVE, ANTIISCHEMIC, ANTIALLERGEN, ANTIASTHMATIC AND ANTICOAGULANT AGENTS; CARDIOVASCULAR DISORDERS TORAY INDUSTRIES, INC. (JP) 2002-06-18 US disclosed