SCHEMBL5852882

SCHEMBL5852882

C[SiH](C)[Ti](Cl)(Cl)(NC(=O)C1CCCC1)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2C19 P33261 1/20 0.35
HPGD P15428 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
NAMPT P43490 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
P2RX7 Q99572 2/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL5853698 0.99 NPC1 (0.39) NPC1RAB9ACYP2C19HPGDHDAC1
SCHEMBL5856430 0.99 NPC1 (0.39) NPC1RAB9ACYP2C19HPGDHDAC1
SCHEMBL5854050 0.88 NPC1 (0.37) NPC1RAB9ACYP2C19HPGDNAMPT
SCHEMBL5853361 0.87 HPGD (0.37) NPC1RAB9ACYP2C19HPGDHDAC1
SCHEMBL5855923 0.87 HPGD (0.37) NPC1RAB9ACYP2C19HPGDHDAC1
SCHEMBL6857282 0.85 NPC1 (0.43) NPC1RAB9ACYP2C19HPGDHDAC1
SCHEMBL5856710 0.84 RAB9A (0.51) NPC1RAB9AHTR7HTR2BALDH1A1
SCHEMBL7629923 0.82 NPC1 (0.38) NPC1RAB9ACYP2C19HPGDALDH1A1
SCHEMBL5855782 0.81 NPC1 (0.42) NPC1RAB9AHTR7HTR2BMAPT
SCHEMBL5853480 0.81 RAB9A (0.42) NPC1RAB9ACYP2C19NAMPTHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037989-B2 Copolymers of ethylene and/or α-olefins and vicinally disubstituted olefins EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-05-02 US disclosed
WO-2004106394-A1 COPOLYMERS OF ETHYLENE AND/OR α-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-12-09 WO disclosed
US-20040242814-A1 COPOLYMERS OF ETHYLENE AND/OR ALPHA-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-02 US disclosed