SCHEMBL12816634

SCHEMBL12816634

CC1=C(C)C(C)C([Si](c2ccc(Cc3ccccc3)cc2)(c2ccc(Cc3ccccc3)cc2)c2ccc(Cc3ccccc3)cc2)=C1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.39
LTA4H P09960 7/20 0.37
LMNA P02545 1/20 0.35
DAO P14920 1/20 0.35
IDH1 O75874 1/20 0.33
PLA2G10 O15496 1/20 0.32
PLA2G2A P14555 1/20 0.32
SLC22A2 O15244 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL12817944 0.90 CALM1 (0.33) CALM1LTA4HLMNADAOIDH1
SCHEMBL12815382 0.88 IDH1 (0.36) CALM1LTA4HLMNADAOIDH1
SCHEMBL12817892 0.87 LTA4H (0.41) LTA4HLMNADAOTAAR1
SCHEMBL10320693 0.86 ESR1 (0.32)
SCHEMBL12816488 0.86 KMT2A (0.33) LTA4HDAOTAAR1L3MBTL1
SCHEMBL12817100 0.86 CYP3A4 (0.34) CALM1LTA4HLMNADAOIDH1
SCHEMBL12816829 0.84 CALM1 (0.32) CALM1LTA4HDAOIDH1
SCHEMBL12816762 0.84 CALM1 (0.32) CALM1LTA4HDAOIDH1
SCHEMBL12817165 0.84 ALOX5 (0.35) LTA4HDAONPC1RAB9A
SCHEMBL12816513 0.84 CYP3A4 (0.33) LTA4H

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
WO-2012133935-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (3) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed