SCHEMBL5852858

SCHEMBL5852858

O=C(N[Zr](Cl)(Cl)(C1C=Cc2ccccc21)[SiH](c1ccccc1)c1ccccc1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CYP2C19 P33261 2/20 0.35
ADORA1 P30542 3/20 0.35
LMNA P02545 2/20 0.34
OPRM1 P35372 2/20 0.34
ADORA2A P29274 2/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
EPHX2 P34913 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CETP P11597 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33

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 1.00 HPGD (0.39) HPGDHDAC3HDAC1HDAC2CYP2C19
SCHEMBL5854048 0.99 HPGD (0.36) HPGDHDAC3HDAC1HDAC2CYP2C19
SCHEMBL5853159 0.88 HPGD (0.38) HPGDHDAC3HDAC1HDAC2CYP2C19
SCHEMBL5853713 0.88 HPGD (0.38) HPGDHDAC3HDAC1HDAC2CYP2C19
SCHEMBL5851530 0.86 HPGD (0.36) HPGDHDAC3HDAC1HDAC2CYP2C19
SCHEMBL5856493 0.82 MEN1 (0.31) HPGDALDH1A1
SCHEMBL5853044 0.81 ATM (0.32) HDAC3HDAC1HDAC2LMNAOPRM1
SCHEMBL5855913 0.79 ALDH1A1 (0.34) ADORA1GAAALDH1A1
SCHEMBL5854463 0.79 SIGMAR1 (0.31) CYP2C19GAATSHR
SCHEMBL5699518 0.78 HPGD (0.37) HPGDHDAC3HDAC1HDAC2CYP2C19

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