SCHEMBL7937025

SCHEMBL7937025

C[Si](C)(Cl)C1C=Cc2c1ccc1c2ccc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.41
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 2/20 0.37
CYP3A4 P08684 1/20 0.37
APEX1 P27695 1/20 0.37
PMP22 Q01453 1/20 0.37
PAX8 Q06710 1/20 0.36
ALDH1A1 P00352 6/20 0.35
HSD17B10 Q99714 4/20 0.35
CYP2A6 P11509 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 4/20 0.33
HPGD P15428 3/20 0.33
HIF1A Q16665 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL7532874 0.92 CYP2A6 (0.34) HPRT1LMNAMAPK1MAPTPAX8
SCHEMBL7629651 0.89 HPRT1 (0.45) HPRT1LMNAMAPK1MAPTCYP3A4
SCHEMBL20972468 0.82 CYP2A6 (0.33) HPRT1LMNAMAPK1MAPTPAX8
SCHEMBL8468654 0.80 ALDH1A1 (0.37) HPRT1LMNAMAPK1ALDH1A1HSD17B10
SCHEMBL7036593 0.74
SCHEMBL10877850 0.74 HPRT1 (0.45) HPRT1LMNAMAPK1MAPTCYP3A4
SCHEMBL29767587 0.71 MAPT (0.35) MAPK1MAPTALDH1A1HSD17B10TDP1
SCHEMBL20972428 0.71 MAPT (0.35) MAPK1MAPTALDH1A1HSD17B10TDP1
SCHEMBL7936856 0.70 HPRT1 (0.40) HPRT1LMNAMAPK1MAPTCYP3A4
SCHEMBL7036431 0.69 MAPT (0.37) MAPK1MAPTALDH1A1HSD17B10TDP1

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 2 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