SCHEMBL1038115

SCHEMBL1038115

CCCCCCC1(C(=O)O)CCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.47
HDAC9 Q9UKV0 1/20 0.39
EBP Q15125 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
NAMPT P43490 2/20 0.38
CXCR5 P32302 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38

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
SCHEMBL11496823 0.99 SIGMAR1 (0.45) SIGMAR1HDAC9EBPCXCR5
SCHEMBL27330956 0.92 SIGMAR1 (0.49) SIGMAR1EBP
SCHEMBL16116728 0.82 HDAC9 (0.44) SIGMAR1HDAC9
SCHEMBL19259384 0.78 SIGMAR1 (0.52) SIGMAR1EBPOPRM1OPRD1OPRK1
SCHEMBL29609212 0.77 HDAC9 (0.45) SIGMAR1HDAC9
SCHEMBL2597839 0.77 HDAC9 (0.45) SIGMAR1HDAC9
SCHEMBL7782520 0.76 SIGMAR1 (0.54) SIGMAR1EBPOPRM1OPRD1OPRK1
SCHEMBL7788022 0.76 SIGMAR1 (0.54) SIGMAR1EBPOPRM1OPRD1OPRK1
SCHEMBL22175918 0.76 SIGMAR1 (0.50) SIGMAR1EBP
SCHEMBL6751391 0.76 HDAC9 (0.44) SIGMAR1HDAC9

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
EP-2276729-A2 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S. A. (BR) 2011-01-26 EP disclosed