SCHEMBL7887401

SCHEMBL7887401

CCCCCCCCCCC1C(=O)N1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.42
PTGS2 P35354 3/20 0.42
MGLL Q99685 3/20 0.42
FAAH O00519 2/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 2/20 0.40
GBA1 P04062 2/20 0.40
PRKCD Q05655 4/20 0.40
CNR2 P34972 3/20 0.40
CNR1 P21554 1/20 0.40
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.36
THRB P10828 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
SCHEMBL818514 0.91
SCHEMBL11878881 0.80
SCHEMBL9017626 0.77 GBA1 (0.49) PTGS1PTGS2MGLLFAAHTP53
SCHEMBL9017602 0.77 GBA1 (0.49) PTGS1PTGS2MGLLFAAHTP53
SCHEMBL938784 0.77 CYP1A2 (0.38) PTGS1PTGS2MGLLFAAHTP53
SCHEMBL10714123 0.75 PRKCD (0.42) PTGS1PTGS2MGLLFAAHTP53
SCHEMBL3806103 0.74 GBA1 (0.46) PTGS1PTGS2MGLLFAAHTP53
SCHEMBL1617916 0.74 CYP1A2 (0.39) PTGS1PTGS2MGLLCYP1A2ALDH1A1
SCHEMBL1617963 0.74 CYP1A2 (0.39) PTGS1PTGS2MGLLCYP1A2ALDH1A1
SCHEMBL1618109 0.74 CYP1A2 (0.39) PTGS1PTGS2MGLLCYP1A2ALDH1A1

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
CN-111040260-A Tread rubber composition for studless tire 住友橡胶工业株式会社 2020-04-21 CN disclosed
CN-111040259-A Tread rubber composition for studless tire 住友橡胶工业株式会社 2020-04-21 CN disclosed
US-6172160-B1 A RUBBER CONTAINING A DIENE POLYMER COMPOSED OF A BRANCHED DIENE POLYMER COMPONENT HAVING ATLEAST THREE BRANCHED DIENE POLYMER CHAINS THROUGH A POLYFUNCTIONAL COUPLING AGENT AND A LINEAR DIENE POLYMER HAVING QUATERNARY AMMONIUM GROUP NIPPON ZEON CO., LTD. (JP) 2001-01-09 US disclosed