SCHEMBL27472158

SCHEMBL27472158

CCCC(C)c1cccc(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.41
ADRA2B P18089 4/20 0.41
ADRA2C P18825 4/20 0.41
ADRA1A P35348 3/20 0.41
ADRA1B P35368 3/20 0.41
TSHR P16473 3/20 0.41
ADRA1D P25100 2/20 0.41
KCNH2 Q12809 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
TP53 P04637 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A2 P23975 1/20 0.40
HTR7 P34969 1/20 0.40
MAPK1 P28482 1/20 0.36
TRPA1 O75762 1/20 0.35
ATM Q13315 1/20 0.35
ESR1 P03372 1/20 0.33

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
SCHEMBL27391011 0.83 TSHR (0.52) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL11800593 0.83 ESR1 (0.45) ADRA2AADRA2BADRA2CADRA1ATSHR
SCHEMBL30680064 0.82 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL27638112 0.82 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL17963769 0.82 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL10822146 0.82 FFAR1 (0.41) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL25303539 0.81 ADRA2A (0.39) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL4443322 0.81 ALDH1A1 (0.46) TSHRCYP1A2CYP3A4CYP2C9TP53
SCHEMBL16959525 0.78 ADRA2A (0.37) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL6055262 0.78 TRPA1 (0.39) ADRA2AADRA2BADRA2CADRA1AADRA1B

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-1150233-C Star-shaped polymers ���ʿ����о����޹�˾ 2004-05-19 CN disclosed