SCHEMBL18917595

SCHEMBL18917595

CCCCOCC(=O)c1ccc(OCCCC)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.63
PLA2G4B P0C869 6/20 0.59
RARB P10826 2/20 0.59
MMP1 P03956 1/20 0.59
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
THRA P10827 2/20 0.56
THRB P10828 2/20 0.56
PLA2G4A P47712 1/20 0.55

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
SCHEMBL8218440 0.90 L3MBTL1 (0.68) L3MBTL1PLA2G4BMMP1TP53TSHR
SCHEMBL28697442 0.88 HDAC3 (0.54) L3MBTL1
SCHEMBL7044827 0.85 RAB9A (0.50) L3MBTL1PLA2G4BRARBMMP1TSHR
SCHEMBL27269021 0.85 L3MBTL1 (0.54) L3MBTL1PLA2G4BRARBMMP1TP53
SCHEMBL1742078 0.84 TSHR (0.49) L3MBTL1PLA2G4BRARBTSHR
SCHEMBL28691184 0.84 TP53 (0.53) PLA2G4BTP53TSHRTHRATHRB
SCHEMBL28707265 0.84 TP53 (0.53) PLA2G4BTP53TSHRTHRATHRB
SCHEMBL28686349 0.84 TP53 (0.53) PLA2G4BTP53TSHRTHRATHRB
SCHEMBL28933513 0.84 TP53 (0.53) PLA2G4BTP53TSHRTHRATHRB
SCHEMBL28706742 0.84 TP53 (0.53) PLA2G4BTP53TSHRTHRATHRB

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-106715479-B Catalyst for polymerization of conjugated diene, conjugated diene polymer, modified conjugated diene polymer, polybutadiene, and composition containing same 宇部兴产株式会社 2019-07-23 CN disclosed
US-10053526-B2 Catalyst for conjugated diene polymerization, conjugated diene polymer, modified conjugated diene polymer, polybutadiene, and compositions comprising foregoing UBE INDUSTRIES, LTD. (JP) 2018-08-21 US disclosed
US-20170158786-A1 CATALYST FOR CONJUGATED DIENE POLYMERIZATION, CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, POLYBUTADIENE, AND COMPOSITIONS COMPRISING FOREGOING UBE INDUSTRIES, LTD. (JP) 2017-06-08 US disclosed