SCHEMBL28010689

SCHEMBL28010689

C=CC=Cc1c(C)cc(C)cc1C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.33
ABCB1 P08183 1/20 0.33
HPGD P15428 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL16508030 0.86 ALDH1A1 (0.41) HPGDSMN1; SMN2
SCHEMBL23458022 0.85 RAPGEF4 (0.39) RAPGEF4ABCB1HPGDCA1CA2
SCHEMBL23458023 0.85 RAPGEF4 (0.39) RAPGEF4ABCB1HPGDCA1CA2
SCHEMBL699401 0.79 RAPGEF4 (0.43) RAPGEF4ABCB1HPGDCA1CA2
SCHEMBL699400 0.79 RAPGEF4 (0.43) RAPGEF4ABCB1HPGDCA1CA2
SCHEMBL25004978 0.78 MAPT (0.34) HPGDKMT2A
Ammonia Solution, Strong SCHEMBL1984066 0.76 RAPGEF4 (0.41) RAPGEF4ABCB1HPGDCA1CA2
SCHEMBL28401870 0.76 ABCB1 (0.37) RAPGEF4ABCB1HPGDCA1CA2
SCHEMBL293077 0.76 RAPGEF4 (0.33) RAPGEF4ABCB1HPGDCA1CA2
SCHEMBL28486590 0.76 RAPGEF4 (0.33) RAPGEF4ABCB1HPGDCA1CA2

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-102918089-B Method for obtaining a rubber composition including a thermoplastic filler MICHELIN SOC TECH 2015-03-18 CN disclosed