SCHEMBL3854946

SCHEMBL3854946

O=C(O)C12CCC(CC1)C2.[Na]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 2/20 0.35
GRM4 Q14833 4/20 0.34
GRM2 Q14416 2/20 0.34
GRM3 Q14832 2/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GRM8 O00222 1/20 0.34
GRM6 O15303 1/20 0.34
GRM5 P41594 1/20 0.34
MTOR P42345 1/20 0.34
GRM1 Q13255 1/20 0.34

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
SCHEMBL152754 0.97 ALDH1A1 (0.40) ALDH1A1HTTNPSR1PKML3MBTL1
Hydrochloric Acid SCHEMBL29812508 0.95 PKM (0.39) ALDH1A1HTTNPSR1PKML3MBTL1
Hydrochloric Acid SCHEMBL17536887 0.95 PKM (0.39) ALDH1A1HTTNPSR1PKML3MBTL1
Hydrochloric Acid SCHEMBL29812512 0.95 PKM (0.39) ALDH1A1HTTNPSR1PKML3MBTL1
SCHEMBL11015180 0.89 ALDH1A1 (0.36) ALDH1A1HTTNPSR1PKML3MBTL1
Formic Acid SCHEMBL30522146 0.89 ALDH1A1 (0.36) ALDH1A1HTTNPSR1PKML3MBTL1
Acrylic Acid SCHEMBL16930389 0.83 LMNA (0.39) ALDH1A1HTTNPSR1PKML3MBTL1
SCHEMBL1374984 0.83 CYP1A2 (0.34) ALDH1A1PKML3MBTL1GRM4GRM2
SCHEMBL587339 0.81 FFAR3 (0.35) ALDH1A1HTTNPSR1PKML3MBTL1
SCHEMBL20952430 0.81 ALDH1A1 (0.47) ALDH1A1HTTNPSR1PKML3MBTL1

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
EP-2089209-B1 INJECTION MOLDING PROCESS FINA TECHNOLOGY (US) 2019-08-21 EP disclosed
US-7589138-B2 adding nucleating agent to provide a uniform shrinkage of isotactic ethylene-propylene copolymer molding materials FINA TECHNOLOGY, INC. (US) 2009-09-15 US disclosed
US-20080128950-A1 adding nucleating agent to provide a uniform shrinkage of isotactic ethylene-propylene copolymer molding materials FINA TECHNOLOGY, INC. 2008-06-05 US disclosed