SCHEMBL30828141

SCHEMBL30828141

Cc1cc(C)c(-c2cccc(C)n2)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.60
CCR8 P51685 1/20 0.60
CYP2A6 P11509 2/20 0.43
METAP2 P50579 1/20 0.43
TGFBR1 P36897 6/20 0.41
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
HTR7 P34969 2/20 0.39
CYP1A2 P05177 1/20 0.38
GBA1 P04062 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
CRHR1 P34998 1/20 0.37
GRM5 P41594 1/20 0.36
THRB P10828 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
SCHEMBL19426863 1.00 CCR1 (0.60) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL3623211 0.89 CCR1 (0.42) CCR1CCR8CYP2A6NOS2HTR7
SCHEMBL31655443 0.87 CCR1 (0.46) CCR1CCR8CYP2A6NOS2HTR7
SCHEMBL24729625 0.85 CCR1 (0.68) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL2072180 0.80 HTR7 (0.37) CCR1CCR8CYP2A6NOS2HTR7
SCHEMBL31458627 0.80 HTR7 (0.37) CCR1CCR8CYP2A6NOS2HTR7
SCHEMBL4628888 0.79 HTR7 (0.36) CCR1CCR8CYP2A6NOS2HTR7
SCHEMBL26751431 0.78 CCR1 (0.73) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL14168736 0.77 CCR1 (0.62) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL15470587 0.77 CCR1 (0.70) CCR1CCR8CYP2A6METAP2TGFBR1

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-117794644-A Iron-catalyzed metathesis polymerization of olefins 耶达研究与发展有限公司 2024-03-29 CN disclosed