SCHEMBL3826529

SCHEMBL3826529

CCCCOC(C)C1=CC=CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.35
CNR2 P34972 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
NR5A1 Q13285 1/20 0.30

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
SCHEMBL6750489 0.79 DNM1 (0.42) DNM1CNR2ALDH1A1CNR1
SCHEMBL5547935 0.78 DNM1 (0.33) DNM1CNR2ALDH1A1CNR1TP53
Hexane SCHEMBL28866581 0.75 SOAT1 (0.30)
SCHEMBL6910830 0.70 OPRM1 (0.35)
SCHEMBL6677627 0.68 OPRM1 (0.32)
Hydrochloric Acid SCHEMBL4524453 0.67
Hydrochloric Acid SCHEMBL4542219 0.67
Hydrochloric Acid SCHEMBL6340246 0.67
SCHEMBL6561176 0.67 TRPA1 (0.35)
SCHEMBL409695 0.66

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368192-B Method for producing solid catalyst component for alpha-olefin polymerization and method for producing alpha-olefin polymer using same 日本聚丙烯株式会社 2020-09-11 CN disclosed
EP-1260523-B1 CATALYST SYSTEM FOR POLYMERIZATION AND COPOLYMERIZATION OF OLEFINS CHINA PETROCHEMICAL CORP (CN) 2013-01-23 EP disclosed
EP-1355955-B1 CATALYST FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SRL (IT) 2009-08-26 EP disclosed
EP-1355955-A1 CATALYST FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.p.A. (IT) 2003-10-29 EP disclosed
US-20030027715-A1 Catalyst for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.P.A (IT) 2003-02-06 US disclosed
WO-2002044219-A1 CATALYST FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2002-06-06 WO disclosed