SCHEMBL8522980

SCHEMBL8522980

C=CCc1ccccc1C(Cl)(Cl)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ADRB2 P07550 3/20 0.34
AKR1B1 P15121 1/20 0.33
ADRA2C P18825 3/20 0.33
ADRA2B P18089 2/20 0.33
HTR1A P08908 2/20 0.33
ADRA2A P08913 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
LMNA P02545 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
SLC6A2 P23975 1/20 0.32
BDKRB2 P30411 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL4132999 0.84 GABRA1 (0.40) GABRA1GABRB2ALDH1A1KDM4EADRB2
Ammonia Solution, Strong SCHEMBL7776228 0.82 GABRA1 (0.39) GABRA1GABRB2ALDH1A1KDM4EADRB2
SCHEMBL10808980 0.79 IDO1 (0.50) GABRA1GABRB2ALDH1A1KDM4ESLC6A2
SCHEMBL6841870 0.79 GABRA1 (0.42) GABRA1GABRB2ALDH1A1KDM4EADRB2
Allylamine SCHEMBL28383223 0.78 GABRA1 (0.36) GABRA1GABRB2ALDH1A1KDM4EADRB2
SCHEMBL2003722 0.78 GABRA1 (0.41) GABRA1GABRB2ALDH1A1KDM4EADRB2
SCHEMBL29763626 0.77 GABRA1 (0.56) GABRA1GABRB2ALDH1A1KDM4EADRB2
SCHEMBL173300 0.77 GABRA1 (0.56) GABRA1GABRB2ALDH1A1KDM4EADRB2
SCHEMBL278267 0.76 GABRA1 (0.40) GABRA1GABRB2ALDH1A1KDM4EADRB2
SCHEMBL11340285 0.76 LMNA (0.37) ALDH1A1KDM4ELMNAKCNH2

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
EP-0723950-B1 Process for producing alkylbenzoyl chloride MITSUBISHI GAS CHEMICAL CO (JP) 1999-04-14 EP disclosed
US-5599981-A Process for producing alkylbenzoyl chloride MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1997-02-04 US disclosed
EP-0723950-A1 Process for producing alkylbenzoyl chloride MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-07-31 EP disclosed