SCHEMBL5855027

SCHEMBL5855027

Cc1cc(C)c(C(=O)N[Zr](Cl)(Cl)(c2cccc3c2Cc2ccccc2-3)[SiH](c2ccccc2)c2ccccc2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 1/20 0.34
HTR2B P41595 2/20 0.32
CYP1A2 P05177 1/20 0.32
ADRA2A P08913 1/20 0.32
MAOA P21397 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
PPARG P37231 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
HSP90AA1 P07900 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
ALOX12 P18054 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
SCHEMBL5854180 0.93 RAB9A (0.39) RAB9ANPC1KDM4EMAPK1HTR2B
SCHEMBL5855114 0.89 RAB9A (0.37) RAB9ANPC1KDM4EMAPK1HTR2B
SCHEMBL5853358 0.89 RAB9A (0.39) RAB9ANPC1KDM4EMAPK1HTR2B
SCHEMBL5854179 0.86 SMN1; SMN2 (0.43) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL5854305 0.86 NPC1 (0.38) RAB9ANPC1HTR2BPPARGCYP2C9
SCHEMBL5852571 0.84 NPC1 (0.39) RAB9ANPC1KDM4EHTR2BCYP1A2
SCHEMBL5853467 0.84 RAB9A (0.37) RAB9ANPC1KDM4EMAPK1HTR2B
SCHEMBL5855645 0.83 RAB9A (0.48) RAB9ANPC1KDM4EMAPK1HTR2B
SCHEMBL5854568 0.81 RAB9A (0.41) RAB9ANPC1KDM4EMAPK1HTR2B
SCHEMBL5853793 0.81 RAB9A (0.37) RAB9ANPC1KDM4EMAPK1HTR2B

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