SCHEMBL7739735

SCHEMBL7739735

CC(SCCN1C(=O)COc2c(CCC(=O)O)cccc21)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.39
HTR1D P28221 5/20 0.39
HTR1B P28222 5/20 0.39
SLC6A4 P31645 5/20 0.39
KCNH2 Q12809 5/20 0.39
NMT1 P30419 3/20 0.38
TBXA2R P21731 1/20 0.38
PTGIR P43119 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KMO O15229 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
CHRM1 P11229 2/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL7737686 0.91 ALDH1A1 (0.39) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL7737346 0.82 PTGIR (0.49) TBXA2RPTGIRALDH1A1MEN1KMT2A
SCHEMBL7739672 0.73 KDM4E (0.38) TBXA2RPTGIRALDH1A1MEN1KMT2A
SCHEMBL7730050 0.72 TBXA2R (0.38) TBXA2RPTGIRKMT2A
SCHEMBL7739662 0.71 TBXA2R (0.39) TBXA2RPTGIR
SCHEMBL7736480 0.70 ALDH1A1 (0.41) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL7737376 0.68 TBXA2R (0.48) TBXA2RPTGIRALDH1A1
SCHEMBL7730072 0.67 S1PR5 (0.38) TBXA2RPTGIRALDH1A1MEN1KMT2A
SCHEMBL7737236 0.67 TBXA2R (0.48) TBXA2RPTGIRALDH1A1
SCHEMBL4973366 0.67 KMO (0.49) ALDH1A1KMOMEN1KMT2ATP53

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 2 patents. 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
EP-1028113-A1 FUSED BENZENE HETEROCYCLE DERIVATIVES AND UTILIZATION THEREOF TORAY INDUSTRIES, INC. (JP) 2000-08-16 EP disclosed