SCHEMBL27422909

SCHEMBL27422909

C1=CCC=C1.C1=CCC=C1.c1ccc2c(c1)CCC2

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
MAOB P27338 4/20 0.43
MAOA P21397 3/20 0.43
CYP2A6 P11509 2/20 0.43
HTR2C P28335 1/20 0.40
MAPT P10636 1/20 0.39
DRD4 P21917 2/20 0.37
PNMT P11086 1/20 0.36
CD44 P16070 1/20 0.36
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
PLAU P00749 1/20 0.33
NOS3 P29474 1/20 0.33

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
SCHEMBL27918527 0.95 TSHR (0.68) TSHRMAOBMAOACYP2A6HTR2C
SCHEMBL451157 0.83 TSHR (0.86) TSHRMAOBMAOACYP2A6HTR2C
SCHEMBL9662 0.83
SCHEMBL3057782 0.83 TSHR (0.86) TSHRMAOBMAOACYP2A6HTR2C
SCHEMBL29354295 0.83
Ammonia Solution, Strong SCHEMBL6332955 0.80 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C
Ammonia Solution, Strong SCHEMBL1151087 0.80 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C
Methane SCHEMBL19946467 0.80 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C
Water SCHEMBL7121211 0.80 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C
SCHEMBL8676208 0.80 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1048479-C Comprehensive utiligation process and apparatus for reformed carbon + heavy aromatics TIANJIN PETROCHEMICAL TECHNOLO (CN) 2000-01-19 CN disclosed
CN-1094388-A Reformation C+10 heavy aromatic hydrocarbon comprehensive utilization process and device TIANJIN PETROCHEMICAL TECHNOLO (CN) 1994-11-02 CN disclosed