SCHEMBL19254463

SCHEMBL19254463

CCCc1ccccc1C(C)CC

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
CYSLTR2 Q9NS75 6/20 0.36
CYSLTR1 Q9Y271 6/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
HTR1A P08908 1/20 0.35
ATM Q13315 1/20 0.35
NISCH Q9Y2I1 1/20 0.35

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
SCHEMBL9838740 0.91 TSHR (0.59) TSHRADRA2AADRA2BADRA2CCYSLTR2
SCHEMBL10979504 0.88 TSHR (0.52) TSHRADRA2AADRA2BADRA2CCYSLTR2
SCHEMBL20739985 0.84 TSHR (0.52) TSHRADRA2AADRA2BADRA2CCYSLTR2
SCHEMBL3844173 0.84 TSHR (0.52) TSHR
SCHEMBL16583209 0.83 TSHR (0.72) TSHRADRA2AADRA2BADRA2CGABRA1
SCHEMBL4843352 0.83 ADRA2A (0.46) TSHRADRA2AADRA2BADRA2CCYSLTR2
SCHEMBL9621039 0.83 ADRA2A (0.46) TSHRADRA2AADRA2BADRA2CCYSLTR2
SCHEMBL3627333 0.83 TSHR (0.59) TSHRKDM4EL3MBTL1GABRA1GABRB2
SCHEMBL29429985 0.82 TSHR (0.50) TSHRHTR1AATM
SCHEMBL5665152 0.82 TSHR (0.50) TSHRHTR1AATM

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
EP-2797878-B1 PHENYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING STROKE BIO-PHARM SOLUTIONS CO LTD (KR) 2017-08-16 EP disclosed