SCHEMBL5852838

SCHEMBL5852838

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.33
NAMPT P43490 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
P2RX7 Q99572 2/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
NUDT1 P36639 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
SCHEMBL5854780 0.99 NPC1 (0.39) NPC1RAB9ACYP2C19ALDH1A1KDM4E
SCHEMBL5855675 0.99 NPC1 (0.39) NPC1RAB9ACYP2C19ALDH1A1KDM4E
SCHEMBL5853516 0.87 HPGD (0.37) NPC1RAB9ACYP2C19ALDH1A1HPGD
SCHEMBL5854870 0.86 HPGD (0.39) NPC1RAB9ACYP2C19ALDH1A1KDM4E
SCHEMBL5854766 0.86 HPGD (0.39) NPC1RAB9ACYP2C19ALDH1A1KDM4E
SCHEMBL7628547 0.85 NPC1 (0.40) NPC1RAB9ACYP2C19ALDH1A1KDM4E
SCHEMBL5855207 0.84 RAB9A (0.51) NPC1RAB9AALDH1A1KDM4EHTR7
SCHEMBL7626477 0.82 NPC1 (0.38) NPC1RAB9ACYP2C19ALDH1A1KDM4E
SCHEMBL5852904 0.81 NPC1 (0.42) NPC1RAB9AHTR7HTR2BMAPT
SCHEMBL5853766 0.81 RAB9A (0.42) NPC1RAB9ACYP2C19ALDH1A1KDM4E

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