SCHEMBL677737

SCHEMBL677737

CONC1=NC(=O)/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.67
PTGS1 P23219 8/20 0.67
ALOX5 P09917 1/20 0.67
EEF2K O00418 1/20 0.47
SRC P12931 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PSMD14 O00487 1/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL677738 1.00 PTGS2 (0.67) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL677736 1.00 PTGS2 (0.67) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL14478505 0.90 PTGS2 (0.67) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8961980 0.86 PTGS2 (0.68) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8961971 0.86 PTGS2 (0.68) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8961993 0.85 PTGS2 (0.60) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8962140 0.85 PTGS2 (0.60) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8962142 0.85 PTGS2 (0.60) PTGS2PTGS1ALOX5EEF2KSRC
Hydrochloric Acid SCHEMBL7702116 0.84 PTGS2 (0.59) PTGS2PTGS1ALOX5EEF2KSRC
Hydrochloric Acid SCHEMBL7702117 0.84 PTGS2 (0.59) PTGS2PTGS1ALOX5EEF2KSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014176460-A1 METHODS OF TREATING BEHAVIORIAL AND/OR MENTAL DISORDERS CHAU DAVID T (US) 2014-10-30 WO disclosed
US-8486922-B2 Composition CHEN CHIEN-HUNG (TW) 2013-07-16 US disclosed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US disclosed
US-20110281829-A1 NOVEL COMPOSITION IPINTL, LLC (US) 2011-11-17 US disclosed