SCHEMBL27946554

SCHEMBL27946554

CC(C)(CCCCCC(C)(C)c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
CNR2 P34972 4/20 0.46
MAPK1 P28482 1/20 0.42
CNR1 P21554 3/20 0.41
KIF11 P52732 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.38
CYP3A4 P08684 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL9136149 0.91 CNR2 (0.57) TAAR1CNR2CNR1
SCHEMBL9135792 0.91 CNR2 (0.57) TAAR1CNR2CNR1
SCHEMBL28905499 0.91 CNR2 (0.57) TAAR1CNR2CNR1
SCHEMBL6652267 0.91 CNR2 (0.57) TAAR1CNR2CNR1
SCHEMBL28501686 0.91 CNR2 (0.57) TAAR1CNR2CNR1
SCHEMBL507786 0.91 CNR2 (0.57) TAAR1CNR2CNR1
SCHEMBL10938957 0.91 CNR2 (0.57) TAAR1CNR2CNR1
SCHEMBL6506230 0.91 CNR2 (0.57) TAAR1CNR2CNR1
SCHEMBL3083069 0.91 CNR2 (0.57) TAAR1CNR2CNR1
SCHEMBL9139668 0.91 CNR2 (0.57) TAAR1CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103467730-B Carbamate compounds Asahi Kasei Chemical K. K. (JP) 2015-12-23 CN disclosed
CN-101868445-B Method for producing isocyanate and aromatic hydroxy compound ASAHI CHEMICAL CORP 2014-06-18 CN disclosed
CN-102026965-B Method for producing isocyanate ASAHI KASEI CHEMICALS CORP 2014-02-26 CN disclosed
CN-103467730-A Carbamate compound ASAHI KASEI CHEMICAL CORP 2013-12-25 CN disclosed