SCHEMBL7936983

SCHEMBL7936983

C[SiH](C)[Ti](C)(C)(NC(=O)C1CCCCC1)C1C=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.38
CETP P11597 1/20 0.38
CYP2C19 P33261 2/20 0.37
P2RX7 Q99572 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
LMNA P02545 2/20 0.34
OPRM1 P35372 1/20 0.34
ALDH1A1 P00352 4/20 0.33
GAA P10253 3/20 0.33
KDM4E B2RXH2 3/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 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
SCHEMBL5853067 0.85 HPGD (0.37) HPGDCETPCYP2C19P2RX7SMN1; SMN2
SCHEMBL5853456 0.85 HPGD (0.37) HPGDCETPCYP2C19P2RX7SMN1; SMN2
SCHEMBL5854016 0.84 HPGD (0.35) HPGDCETPCYP2C19P2RX7SMN1; SMN2
SCHEMBL5853115 0.76 HPGD (0.39) HPGDCETPCYP2C19SMN1; SMN2HDAC3
SCHEMBL5853015 0.76 HPGD (0.39) HPGDCETPCYP2C19SMN1; SMN2HDAC3
SCHEMBL5856817 0.75 HPGD (0.36) HPGDCETPCYP2C19SMN1; SMN2HDAC3
Hydrochloric Acid SCHEMBL5855241 0.72 CYP2C19 (0.40) HPGDCETPCYP2C19P2RX7SMN1; SMN2
Hydrochloric Acid SCHEMBL5852999 0.72 CYP2C19 (0.40) HPGDCETPCYP2C19P2RX7SMN1; SMN2
SCHEMBL3227148 0.71
Hydrochloric Acid SCHEMBL5853154 0.71 HPGD (0.39) HPGDCETPCYP2C19P2RX7SMN1; SMN2

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
US-6177526-B1 METALLOCENE; COCATALYST; MODIFIED OXIDE CONTAINS ORGANIC SILICON RADICALS CONTAINING AT LEAST ONE OF THE GROUPS NITROGEN, FLUORINE, PHOSPHORUS OR SULFUR. TARGOR GMBH (DE) 2001-01-23 US disclosed