SCHEMBL28097226

SCHEMBL28097226

CCCCCCOCc1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
CYP2C9 P11712 2/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
HTR1B P28222 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
MTNR1A P48039 1/20 0.41
HTR1D P28221 1/20 0.40

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
SCHEMBL28262225 1.00 CNR1 (0.46) CNR1CNR2CYP2C9ADRB2ADRB1
SCHEMBL28809537 1.00 CNR1 (0.46) CNR1CNR2CYP2C9ADRB2ADRB1
SCHEMBL14199087 0.93 CYP1A2 (0.44) CNR1CNR2CYP2C9HTR1BCYP1A2
SCHEMBL6420347 0.86 NPC1 (0.48) CNR1CNR2CYP2C9HTR1BCYP1A2
Water SCHEMBL9245240 0.84 BCHE (0.47) CNR1CNR2CYP2C9HTR1BCYP1A2
Hydrochloric Acid SCHEMBL9517776 0.84 BCHE (0.47) CNR1CNR2CYP2C9CYP1A2CYP2C19
SCHEMBL1007564 0.84 CNR2 (0.47) CNR1CNR2CYP2C9ADRB2ADRB1
SCHEMBL7622732 0.84 ADRB2 (0.41) CNR1CNR2CYP2C9ADRB2ADRB1
SCHEMBL9318967 0.84 PARP10 (0.41) CNR1CNR2CYP2C9ADRB2ADRB1
SCHEMBL27645176 0.84 BCHE (0.49) CNR1CNR2CYP2C9HTR1BMTNR1A

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-106068289-B Modified conjugated diene polymer, method for producing the same, and rubber composition containing the same LG化学株式会社 2019-05-03 CN disclosed
CN-105473625-B The modified polymer based on conjugated diene, prepares the method for the polymer and the rubber composition comprising the polymer LG化学株式会社 2018-05-01 CN disclosed
CN-106062007-B End-functional conjugated diene-based polymer and method for preparing same LG化学株式会社 2017-09-22 CN disclosed
CN-106068289-A Modified conjugated diene polymer, method for producing the same, and rubber composition containing the same LG化学株式会社 2016-11-02 CN disclosed
CN-106062007-A End-functional conjugated diene-based polymer and method for preparing same LG化学株式会社 2016-10-26 CN disclosed