SCHEMBL28141013

SCHEMBL28141013

CCCCC1CC(C(C)C)Cc2c1ccc1c2ccc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.34
DPP4 P27487 1/20 0.33
SLC6A4 P31645 3/20 0.33
BCHE P06276 1/20 0.33
HPRT1 P00492 1/20 0.33
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
DRD2 P14416 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL28199983 0.84 DPP4 (0.35) TAAR1DPP4SLC6A4HPRT1HTR1A
SCHEMBL28140264 0.79 HPRT1 (0.39) SLC6A4HPRT1KDM4ENPC1ALDH1A1
SCHEMBL28062980 0.79 HPRT1 (0.39) SLC6A4HPRT1HTR1AHTR7SIGMAR1
SCHEMBL27450656 0.76 SIGMAR1 (0.39) DPP4HTR1ASIGMAR1DRD2
SCHEMBL28191378 0.72 DRD4 (0.39) HTR1ASIGMAR1DRD2
SCHEMBL28168592 0.72 DRD4 (0.39) HTR1ASIGMAR1DRD2
Benzene SCHEMBL28236625 0.71 SIGMAR1 (0.40) HTR1ASIGMAR1
Furan SCHEMBL28211975 0.70 SIGMAR1 (0.36) HTR1ASIGMAR1DRD2
SCHEMBL28818233 0.69 SIGMAR1 (0.35) DPP4HTR1ASIGMAR1DRD2ALDH1A1
SCHEMBL28223991 0.68 CYP1A2 (0.40) SLC6A4HPRT1SIGMAR1DRD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104662050-B Process for producing olefin polymer and olefin polymer 三井化学株式会社 2017-03-22 CN disclosed