SCHEMBL5854016

SCHEMBL5854016

C[SiH](C)[Ti](Cl)(Cl)(NC(=O)C1CCCC1)C1C=Cc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
P2RX7 Q99572 2/20 0.34
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RECQL P46063 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
OPRM1 P35372 2/20 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
SCHEMBL5853456 0.99 HPGD (0.37) HPGDCYP2C19LMNAP2RX7NPSR1
SCHEMBL5853067 0.99 HPGD (0.37) HPGDCYP2C19LMNAP2RX7NPSR1
SCHEMBL5856817 0.86 HPGD (0.36) HPGDCYP2C19LMNASMN1; SMN2ALDH1A1
SCHEMBL5853015 0.85 HPGD (0.39) HPGDCYP2C19LMNASMN1; SMN2ALDH1A1
SCHEMBL5853115 0.85 HPGD (0.39) HPGDCYP2C19LMNASMN1; SMN2ALDH1A1
SCHEMBL7936983 0.84 HPGD (0.38) HPGDCYP2C19LMNAP2RX7NPSR1
SCHEMBL5852593 0.83 MEN1 (0.30) HPGDALDH1A1
SCHEMBL5854049 0.80 LMNA (0.35) LMNASMN1; SMN2ALDH1A1HSD17B10HDAC3
SCHEMBL5854229 0.80 SIGMAR1 (0.30) CYP2C19
SCHEMBL5853118 0.80 ALDH1A1 (0.31) ALDH1A1

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