SCHEMBL5854048

SCHEMBL5854048

O=C(N[Zr](Cl)(Cl)(C1C=Cc2ccccc21)[SiH](c1ccccc1)c1ccccc1)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.35
ADORA1 P30542 5/20 0.34
ADORA2A P29274 3/20 0.34
ADORA3 P0DMS8 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
OPRM1 P35372 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
EPHX2 P34913 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RECQL P46063 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
SCHEMBL5853990 0.99 HPGD (0.39) HPGDLMNAADORA1ADORA2AADORA3
SCHEMBL5852858 0.99 HPGD (0.39) HPGDLMNAADORA1ADORA2AADORA3
SCHEMBL5851530 0.87 HPGD (0.36) HPGDLMNAHDAC3HDAC1HDAC2
SCHEMBL5853713 0.86 HPGD (0.38) HPGDLMNAHDAC3HDAC1HDAC2
SCHEMBL5853159 0.86 HPGD (0.38) HPGDLMNAHDAC3HDAC1HDAC2
SCHEMBL5856493 0.82 MEN1 (0.31) HPGDALDH1A1USP2
SCHEMBL5853044 0.81 ATM (0.32) LMNAHDAC3HDAC1HDAC2OPRM1
SCHEMBL5854463 0.80 SIGMAR1 (0.31) CYP2C19GAATSHR
SCHEMBL5855913 0.80 ALDH1A1 (0.34) ADORA1ALDH1A1GAA
SCHEMBL5856043 0.78 ALOX5 (0.36) HPGDADORA1ADORA2AADORA3CYP2C19

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