SCHEMBL7935685

SCHEMBL7935685

CC1=C([Si](C)(C)Cl)C(C)c2ccc3c(ccc4ccccc43)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.39
MAPK1 P28482 4/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
CYP3A4 P08684 2/20 0.36
APEX1 P27695 1/20 0.36
PMP22 Q01453 1/20 0.36
CYP1A2 P05177 3/20 0.34
CYP2A6 P11509 3/20 0.34
TSHR P16473 3/20 0.34
PAX8 Q06710 1/20 0.34
ALDH1A1 P00352 6/20 0.34
HPGD P15428 3/20 0.34
HIF1A Q16665 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL7926994 0.82 HPRT1 (0.35) HPRT1MAPK1LMNAMAPTCYP3A4
SCHEMBL7936856 0.70 HPRT1 (0.40) HPRT1MAPK1LMNAMAPTCYP3A4
SCHEMBL7926980 0.69 HPRT1 (0.35) HPRT1MAPK1LMNACYP1A2CYP2A6
SCHEMBL20528975 0.67 GPR3 (0.31) ALDH1A1HSD17B10KDM4ESLC6A4GAA
SCHEMBL15848330 0.65 HPRT1 (0.54) HPRT1MAPK1LMNAMAPTCYP3A4
Hydrogen Sulfide SCHEMBL27958644 0.65 HPRT1 (0.93) HPRT1MAPK1LMNAMAPTCYP3A4
Chrysene SCHEMBL27755233 0.65 HPRT1 (0.93) HPRT1MAPK1LMNAMAPTCYP3A4
SCHEMBL25510 0.62 HPRT1 (1.00) HPRT1MAPK1LMNAMAPTCYP3A4
Chrysene SCHEMBL9786466 0.62 HPRT1 (1.00) HPRT1MAPK1LMNAMAPTCYP3A4
Chrysene SCHEMBL384031 0.62 HPRT1 (1.00) HPRT1MAPK1LMNAMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329486-B1 PHYSICAL PROPERTIES THE DOW CHEMICAL COMPANY 2001-12-11 US disclosed
US-6323294-B1 CONTACTING C.SUB.2-100,000 OLEFIN/S UNDER POLYMERIZATION CONDITIONS WITH CATALYST SYSTEM COMPRISING METAL COMPLEX AND ACTIVATING COCATALYST OR REACTION PRODUCT OF METAL COMPLEX AND COCATALYST TO FORM ADDITION POLYMER THE DOW CHEMICAL COMPANY 2001-11-27 US disclosed
EP-1017701-A1 CYCLOPENTAPHENANTHRENEYL METAL COMPLEXES AND POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 2000-07-12 EP disclosed
WO-1999014221-A1 CYCLOPENTAPHENANTHRENEYL METAL COMPLEXES AND POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 1999-03-25 WO disclosed