SCHEMBL18917587

SCHEMBL18917587

CCCCOc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.59
DRD1 P21728 1/20 0.59
DRD3 P35462 1/20 0.59
ABCB1 P08183 4/20 0.59
LMNA P02545 3/20 0.59
MAPT P10636 3/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
NR1I2 O75469 1/20 0.59
CHRM2 P08172 1/20 0.59
CYP3A4 P08684 1/20 0.59
ADRA2A P08913 1/20 0.59
OPRK1 P41145 1/20 0.59
HTR2B P41595 1/20 0.59
SLC6A3 Q01959 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
ALDH1A1 P00352 2/20 0.54
NPSR1 Q6W5P4 1/20 0.53
ELANE P08246 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.52

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
SCHEMBL29518968 1.00 DRD2 (0.59) DRD2DRD1DRD3ABCB1LMNA
Bicarbonate SCHEMBL28775865 0.98 DRD2 (0.58) DRD2DRD1DRD3ABCB1LMNA
SCHEMBL7252531 0.95 LMNA (0.66) DRD2DRD1DRD3ABCB1LMNA
SCHEMBL6433586 0.94 LMNA (0.68) DRD2DRD1DRD3ABCB1LMNA
SCHEMBL11216088 0.94 LMNA (0.68) DRD2DRD1DRD3ABCB1LMNA
SCHEMBL17203917 0.94 LMNA (0.68) DRD2DRD1DRD3ABCB1LMNA
SCHEMBL5898795 0.94 LMNA (0.68) DRD2DRD1DRD3ABCB1LMNA
SCHEMBL2469614 0.94 LMNA (0.68) DRD2DRD1DRD3ABCB1LMNA
SCHEMBL536375 0.94 LMNA (0.68) DRD2DRD1DRD3ABCB1LMNA
SCHEMBL29488260 0.94 LMNA (0.68) DRD2DRD1DRD3ABCB1LMNA

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 5 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
CN-108350106-A Polymerizable composition for optical material, optical material obtained from the composition, and plastic lens 三井化学株式会社 2018-07-31 CN 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
CN-106715479-A 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 2017-05-24 CN disclosed