SCHEMBL27980950

SCHEMBL27980950

CCN(CC)c1ccccc1C(C)Cc1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
POLB P06746 2/20 0.42
MAPK1 P28482 1/20 0.42
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
HTR1A P08908 1/20 0.37
HSPA5 P11021 1/20 0.36
P4HB P07237 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 4/20 0.33
HIF1A Q16665 1/20 0.33
CYP3A4 P08684 3/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
KCNH2 Q12809 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
AKR1B1 P15121 1/20 0.33
AR P10275 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
SCHEMBL10617353 0.82 TSHR (0.55) TSHRPOLBMAPK1GABRA1GABRB2
SCHEMBL30455902 0.80 TSHR (0.64) TSHRPOLBMAPK1GABRA1GABRB2
SCHEMBL188373 0.80 TSHR (0.64) TSHRPOLBMAPK1GABRA1GABRB2
SCHEMBL1952938 0.79 TSHR (0.53) TSHRPOLBMAPK1GABRA1GABRB2
SCHEMBL1954270 0.76 TSHR (0.50) TSHRPOLBMAPK1GABRA1GABRB2
SCHEMBL1954000 0.76 TSHR (0.48) TSHRPOLBMAPK1GABRA1GABRB2
SCHEMBL1778574 0.76 TSHR (0.48) TSHRPOLBMAPK1GABRA1GABRB2
SCHEMBL27833226 0.75 POLB (0.37) TSHRPOLBMAPK1HTR1AHSPA5
SCHEMBL27950263 0.74 TSHR (0.47) TSHRPOLBMAPK1GABRA1GABRB2
SCHEMBL1954008 0.74 TSHR (0.47) TSHRPOLBMAPK1HTR1A

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-102471244-B Process for producing N-substituted carbamate, process for producing isocyanate using the N-substituted carbamate, and composition for transporting and storing N-substituted carbamate containing N-substituted carbamate and aromatic hydroxy compound ASAHI CHEMICAL CORP 2014-09-24 CN disclosed