Sugi Predict

Sugi Predict / Compounds / SCHEMBL28040813

SCHEMBL28040813

SCHEMBL28040813

CCCCCCc1cc(CCCCCC)cc([Si]([C]2C=CC=C2C(C)C)(c2cc(CCCCCC)cc(CCCCCC)c2)c2cc(CCCCCC)cc(CCCCCC)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.37
▸ CYP3A4 P08684 1/20 0.35
▸ GPR84 Q9NQS5 2/20 0.35
▸ SPHK1 Q9NYA1 4/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 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
SCHEMBL28040505 0.90 PTGS2 (0.36) PTGS2CYP3A4GPR84TDP1L3MBTL1
SCHEMBL27887334 0.88 PTGS2 (0.36) PTGS2CYP3A4GPR84SPHK1TDP1
SCHEMBL28040440 0.83 — —
SCHEMBL28040405 0.82 PTGS2 (0.40) PTGS2CYP3A4GPR84TDP1L3MBTL1
SCHEMBL28040393 0.81 PTGS2 (0.39) PTGS2CYP3A4GPR84TDP1L3MBTL1
SCHEMBL27953356 0.81 CA2 (0.35) PTGS2CYP3A4SPHK1
SCHEMBL28040577 0.81 PTGS2 (0.39) PTGS2CYP3A4GPR84TDP1L3MBTL1
SCHEMBL28040625 0.78 PTGS2 (0.37) PTGS2CYP3A4GPR84TDP1L3MBTL1
SCHEMBL27871044 0.78 PTGS2 (0.35) PTGS2CYP3A4GPR84TDP1L3MBTL1
SCHEMBL28040787 0.71 — —

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-102666561-B Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement SUMITOMO CHEMICAL CO.,LTD. (JP) 2015-11-25 — — CN disclosed