SCHEMBL7739672

SCHEMBL7739672

CC(SCCN1CCCc2c(CCC(=O)O)cccc21)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TBXA2R P21731 2/20 0.37
PTGIR P43119 2/20 0.37
FFAR1 O14842 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
CHRM2 P08172 7/20 0.35
CHRM4 P08173 7/20 0.35
CHRM1 P11229 7/20 0.35
CHRM3 P20309 6/20 0.35
PTGER1 P34995 2/20 0.35
PTGER4 P35408 2/20 0.35
PTGER3 P43115 2/20 0.35
PTGER2 P43116 2/20 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
SCHEMBL7730072 0.94 S1PR5 (0.38) KDM4EMEN1POLBMAPTKMT2A
SCHEMBL7737060 0.82 ADRA1B (0.36) MEN1KMT2APPARGPPARACHRM2
SCHEMBL7730171 0.81 PTGIR (0.48) POLBMAPTTBXA2RPTGIRPPARG
SCHEMBL7729885 0.80 KDM4E (0.39) KDM4EMEN1POLBMAPTKMT2A
SCHEMBL7730044 0.78 PTGIR (0.48) TBXA2RPTGIRPPARGPPARAALDH1A1
SCHEMBL7729838 0.76 PTGIR (0.47) POLBMAPTTBXA2RPTGIRPPARG
SCHEMBL7730050 0.75 TBXA2R (0.38) KMT2ATBXA2RPTGIRPTGER1PTGER4
SCHEMBL7739691 0.74 S1PR5 (0.39) KDM4EMEN1POLBMAPTKMT2A
SCHEMBL7737711 0.73 HRH3 (0.41) POLBMAPTTBXA2RPTGIRPPARG
SCHEMBL7739735 0.73 HTR1A (0.39) MEN1KMT2ATBXA2RPTGIRCHRM1

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