SCHEMBL8368477

SCHEMBL8368477

O=C(O)CC1CCc2ccccc2S1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
GLA P06280 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 3/20 0.39
AVPR2 P30518 3/20 0.38
AVPR1A P37288 3/20 0.38
PPARD Q03181 2/20 0.36
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NOTUM Q6P988 1/20 0.35
DGAT1 O75907 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL9722865 0.76 SIGMAR1 (0.42) SIGMAR1
SCHEMBL11668662 0.76 MTNR1A (0.36) SIGMAR1FFAR4MTNR1AMTNR1B
Formamide SCHEMBL9730102 0.75 SIGMAR1 (0.35) SIGMAR1FFAR4TP53MTNR1AMTNR1B
SCHEMBL9730098 0.75 ALOX5 (0.40) SIGMAR1
SCHEMBL30988910 0.75 MAPT (0.44) SIGMAR1MTNR1AMTNR1B
SCHEMBL8464052 0.75 MAPT (0.44) SIGMAR1MTNR1AMTNR1B
SCHEMBL31303467 0.74 SIGMAR1 (0.39) SIGMAR1GLAHSD17B10FFAR1MTNR1A
SCHEMBL30779196 0.73 CA2 (0.40) SIGMAR1
SCHEMBL30382087 0.72 SIGMAR1 (0.38) SIGMAR1HSD17B10FFAR4L3MBTL1NOTUM
SCHEMBL6721448 0.71 SIGMAR1 (0.43) SIGMAR1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0627438-B1 METHANEDIPHOSPHONATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES (JP) 1999-01-13 EP disclosed
US-5565440-A ANTIINFLAMMATORY, ANTIPYRITIC, ANALGESIC, ANTIRHEUMATIC, ANTIARTHRITIC OR ANTIOSTEOPROSIS AGENT TORAY INDUSTRIES, INC. (JP) 1996-10-15 US disclosed
EP-0627438-A1 METHANEDIPHOSPHONATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-12-07 EP disclosed