SCHEMBL5855720

SCHEMBL5855720

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
EPHX2 P34913 1/20 0.33
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CETP P11597 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
P2RX7 Q99572 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
SCHEMBL5852559 0.97 EPHX2 (0.37) ALDH1A1POLBEPHX2MEN1KMT2A
SCHEMBL5854037 0.96 EPHX2 (0.39) ALDH1A1POLBEPHX2MEN1KMT2A
SCHEMBL5854284 0.96 EPHX2 (0.39) ALDH1A1POLBEPHX2MEN1KMT2A
SCHEMBL5856043 0.94 ALOX5 (0.36) ADORA1ALDH1A1HTTADORA3L3MBTL1
SCHEMBL5854463 0.89 SIGMAR1 (0.31) MEN1KMT2AGAATSHR
SCHEMBL5856032 0.88 HTT (0.36) ADORA1ALDH1A1HTTNPSR1POLB
SCHEMBL5855340 0.85 P2RX7 (0.37) ALDH1A1POLBEPHX2MEN1KMT2A
SCHEMBL5855689 0.84 P2RX7 (0.39) ALDH1A1EPHX2MEN1KMT2ACETP
SCHEMBL5853751 0.84 P2RX7 (0.39) ALDH1A1EPHX2MEN1KMT2ACETP
SCHEMBL5856493 0.83 MEN1 (0.31) ALDH1A1MEN1KMT2AHPGD

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