SCHEMBL5852841

SCHEMBL5852841

O=C(N[Hf](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
CYP2C19 P33261 2/20 0.35
LMNA P02545 2/20 0.34
OPRM1 P35372 2/20 0.34
ADORA1 P30542 3/20 0.34
ADORA2A P29274 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 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
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
ALOX12 P18054 1/20 0.33
KCNK3 O14649 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
SCHEMBL5853040 1.00 HPGD (0.39) HPGDCYP2C19LMNAOPRM1ADORA1
SCHEMBL5853854 0.99 HPGD (0.36) HPGDCYP2C19LMNAOPRM1ADORA1
SCHEMBL5855247 0.87 HPGD (0.37) HPGDCYP2C19LMNAOPRM1ADORA1
SCHEMBL5853003 0.87 HPGD (0.37) HPGDCYP2C19LMNAOPRM1ADORA1
SCHEMBL5854342 0.85 HPGD (0.35) HPGDCYP2C19LMNAOPRM1ADORA1
SCHEMBL5853704 0.82
SCHEMBL5854316 0.81 ATM (0.32) LMNAOPRM1HDAC3HDAC1HDAC2
SCHEMBL6698212 0.81 BCHE (0.32)
SCHEMBL6694765 0.81 BCHE (0.32)
SCHEMBL5852698 0.79 SIGMAR1 (0.31) CYP2C19GAA

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 2 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
US-20040242814-A1 COPOLYMERS OF ETHYLENE AND/OR ALPHA-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-02 US disclosed