SCHEMBL5854441

SCHEMBL5854441

CCCC(=O)N[Zr](Cl)(Cl)(c1cccc2c1Cc1ccccc1-2)[SiH](C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP2 O95551 1/20 0.35
PAX8 Q06710 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
TLR9 Q9NR96 1/20 0.35
MTNR1A P48039 4/20 0.35
MTNR1B P49286 4/20 0.35
PNMT P11086 1/20 0.35
ALOX5 P09917 1/20 0.35
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
GAA P10253 1/20 0.32
HTT P42858 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
SCHEMBL5855484 0.93 NPC1 (0.40) NPC1RAB9AALDH1A1LMNAPNMT
SCHEMBL5853241 0.92 GAA (0.40) NPC1RAB9AALDH1A1MEN1LMNA
SCHEMBL5853766 0.92 RAB9A (0.42) NPC1RAB9AALDH1A1MEN1LMNA
SCHEMBL5854675 0.91 GAA (0.42) NPC1RAB9AMEN1LMNAKMT2A
SCHEMBL5854187 0.91 GAA (0.42) NPC1RAB9AMEN1LMNAKMT2A
SCHEMBL5852997 0.88 RAB9A (0.44) NPC1RAB9AALDH1A1MEN1LMNA
SCHEMBL5855207 0.86 RAB9A (0.51) NPC1RAB9AALDH1A1MEN1LMNA
SCHEMBL5854947 0.83 RAB9A (0.42) NPC1RAB9AALDH1A1MEN1LMNA
SCHEMBL5852904 0.83 NPC1 (0.42) NPC1RAB9AMEN1KMT2APNMT
SCHEMBL5853999 0.82 NPC1 (0.38) NPC1RAB9AALDH1A1LMNAGAA

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