SCHEMBL5836701

SCHEMBL5836701

CC1=Cc2c(-c3ccccc3C)cccc2C1[Si](C)(C)C1C(C)=Cc2c(-c3ccccc3C)cccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.37
NPC1 O15118 6/20 0.37
SMN1; SMN2 Q16637 6/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
S1PR1 P21453 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
MEN1 O00255 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
SCHEMBL5837897 0.89 CNR2 (0.33)
SCHEMBL5836617 0.87 MYC (0.33) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL5837280 0.85 S1PR4 (0.33) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL1454519 0.84 HTR2C (0.31) CYP1A2
SCHEMBL61908 0.84 PDCD1 (0.34) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL29366427 0.84 PDCD1 (0.34) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL3149399 0.83 ENPP3 (0.38) RAB9ANPC1SMN1; SMN2CASP3SENP8
Hydrochloric Acid SCHEMBL5168251 0.81
SCHEMBL1452546 0.81 PDK2 (0.32)
Hydrochloric Acid SCHEMBL3822639 0.81 ADRA2A (0.34) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3039026-A1 RACEMO SELECTIVE METALLATION PROCESS ExxonMobil Chemical Patents Inc. (US) 2016-07-06 EP disclosed
US-9376518-B2 Racemo selective metallation process EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-06-28 US disclosed
US-20150065668-A1 Racemo Selective Metallation Process EXXONMOBIL CHEMICAL PATENTS INC. 2015-03-05 US disclosed
WO-2015030996-A1 RACEMO SELECTIVE METALLATION PROCESS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-03-05 WO disclosed
US-6984743-B1 Method for producing metallocenes BASELL POLYOLEFINE GMBH (DE) 2006-01-10 US disclosed
EP-1015463-B1 METHOD FOR PRODUCING METALLOCENES BASELL POLYOLEFINE GMBH (DE) 2002-12-11 EP disclosed
EP-1015463-A1 METHOD FOR PRODUCING METALLOCENES Basell Polyolefine GmbH (DE) 2000-07-05 EP disclosed
WO-1999012943-A1 METHOD FOR PRODUCING METALLOCENES TARGOR GMBH (DE) 1999-03-18 WO disclosed