SCHEMBL14804397

SCHEMBL14804397

Cc1ccc(B(c2ccc(C)cc2)c2c(C)cc(C)cc2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 8/20 0.45
CA2 P00918 2/20 0.42
LPL P06858 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
ORAI1 Q96D31 1/20 0.42
ORAI2 Q96SN7 1/20 0.42
ORAI3 Q9BRQ5 1/20 0.42
TRPV6 Q9H1D0 1/20 0.42
FFAR4 Q5NUL3 2/20 0.39
ACHE P22303 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL22146594 0.95 RAPGEF4 (0.45) RAPGEF4CA2LPLLIPGORAI1
SCHEMBL85680 0.90 RAPGEF4 (0.42) RAPGEF4CA2LPLLIPGORAI1
SCHEMBL25129960 0.86 RAPGEF4 (0.37) RAPGEF4CA2LPLLIPGORAI1
SCHEMBL22872051 0.85 RAPGEF4 (0.50) RAPGEF4CA2FFAR4CYP2A6ALDH1A1
SCHEMBL26720456 0.84 RAPGEF4 (0.37) RAPGEF4CA2LPLLIPGORAI1
SCHEMBL85808 0.84 RAPGEF4 (0.37) RAPGEF4CA2LPLLIPGORAI1
SCHEMBL7458255 0.84 RAPGEF4 (0.37) RAPGEF4CA2LPLLIPGORAI1
SCHEMBL24820988 0.84 FFAR4 (0.46) RAPGEF4ORAI1ORAI2ORAI3TRPV6
SCHEMBL23150833 0.80 FFAR4 (0.44) RAPGEF4ORAI1ORAI2ORAI3TRPV6
SCHEMBL16051086 0.80 ACHE (0.42) RAPGEF4ACHETDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981354-B2 Organic light-emitting polymer and device CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2015-03-17 US disclosed
US-20130146852-A1 ORGANIC LIGHT-EMITTING POLYMER AND DEVICE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-06-13 US disclosed
US-20130075714-A1 POLYMER, POLYMER COMPOSITION AND ORGANIC LIGHT-EMITTING DEVICE SUMTOMO CHEMICAL COMPANY LIMITED (JP) 2013-03-28 US disclosed