SCHEMBL8055035

SCHEMBL8055035

C=CCc1ccccc1C=C.C=Cc1ccccc1CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
ADRB2 P07550 3/20 0.36
ADRB1 P08588 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTR1A P08908 1/20 0.36
ADRB3 P13945 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
BDKRB2 P30411 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL14959 0.90 ALDH1A1 (0.44) GABRA1GABRB2ALDH1A1LMNAMEN1
SCHEMBL30679 0.90 GABRA1 (0.47) GABRA1GABRB2ALDH1A1ADRB2ADRB1
SCHEMBL29749448 0.90 ALDH1A1 (0.44) GABRA1GABRB2ALDH1A1LMNAMEN1
Charcoal, Activated SCHEMBL9723291 0.88 GABRA1 (0.45) GABRA1GABRB2ALDH1A1ADRB2ADRB1
Methane SCHEMBL28621463 0.88 GABRA1 (0.45) GABRA1GABRB2ALDH1A1GAAADRB2
SCHEMBL9576114 0.88 ALDH1A1 (0.43) GABRA1GABRB2ALDH1A1LMNAMEN1
SCHEMBL28802097 0.88 ALDH1A1 (0.43) GABRA1GABRB2ALDH1A1LMNAMEN1
Water SCHEMBL28085262 0.88 ALDH1A1 (0.43) GABRA1GABRB2ALDH1A1LMNAMEN1
SCHEMBL6849255 0.88 ALDH1A1 (0.43) GABRA1GABRB2ALDH1A1LMNAMEN1
Benzene SCHEMBL9141668 0.88 ALDH1A1 (0.43) GABRA1GABRB2ALDH1A1LMNAMEN1

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
US-6027745-A Process for producing controlled drug-release contact lens, and controlled drug-release contact lens thereby produced MENICON CO., LTD. (JP) 2000-02-22 US disclosed
EP-0882996-A2 Process for producing controlled drug-release contact lens, and controlled drug-release contact lens thereby produced Menicon Co., Ltd. (JP) 1998-12-09 EP disclosed