SCHEMBL7526349

SCHEMBL7526349

CCCCCOC(OCCCCC)C(CC)CCCC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.41
ALDH1A1 P00352 3/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LPAR1 Q92633 4/20 0.32
LPAR3 Q9UBY5 4/20 0.32
LPAR2 Q9HBW0 1/20 0.32
PLA2G2C Q5R387 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL7529088 0.98 DNM1 (0.44) DNM1LPAR1LPAR3LPAR2PLA2G2C
SCHEMBL7530675 0.93 CYP3A4 (0.33) DNM1ALDH1A1CYP3A4TDP1CA1
SCHEMBL7526143 0.89 ALDH1A1 (0.33) DNM1ALDH1A1CYP3A4TDP1CA1
Ammonia Solution, Strong SCHEMBL28111996 0.87 CYP3A4 (0.32) DNM1ALDH1A1CYP3A4TDP1CA1
SCHEMBL7534555 0.82 ALDH1A1 (0.34) DNM1ALDH1A1CYP3A4TDP1CA1
SCHEMBL23040696 0.82 CYP3A4 (0.33) CYP3A4
SCHEMBL23040666 0.82 TSHR (0.39) CYP3A4
SCHEMBL23040677 0.80 CYP3A4 (0.33) CYP3A4
SCHEMBL23040694 0.79 CYP3A4 (0.32) CYP3A4CA1CA2
SCHEMBL7533883 0.79 DNM1 (0.36) DNM1LPAR1LPAR3LPAR2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5354911-A From diacetals; catalyst composed of acid and amine HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-11 US claimed
EP-0993431-B1 METHOD FOR PRODUCING ENOL ETHERS BASF AG (DE) 2002-03-27 EP disclosed
US-6211416-B1 REACTING ACETAL OR KETAL WITH ACETYLENE OR ALLENE IN GAS PHASE IN PRESENCE OF CATALYST SELECTED FROM ZINC- OR CADMIUM-SILICON- AND OXYGEN-CONTAINING HETEROGENEOUS CATALYST BASF AKTIENGESELLSCHAFT (DE) 2001-04-03 US disclosed
EP-0993431-A1 METHOD FOR PRODUCING ENOL ETHERS BASF AKTIENGESELLSCHAFT (DE) 2000-04-19 EP disclosed
EP-0703211-B1 Process for the preparation of unsaturated ethers DEGUSSA (DE) 1999-11-10 EP disclosed
WO-1998058894-A1 METHOD FOR PRODUCING ENOL ETHERS BASF AKTIENGESELLSCHAFT (DE) 1998-12-30 WO disclosed
US-5576465-A DEHYDROETHERIFICATION OF ACETALS OR KETALS BY HEATING HUELS AKTIENGESELLSCHAFT (DE) 1996-11-19 US disclosed
EP-0703211-A1 Process for the preparation of unsaturated ethers HÜLS AKTIENGESELLSCHAFT (DE) 1996-03-27 EP disclosed
EP-0490221-B1 Method for the production of unsaturated ethers HOECHST AG (DE) 1995-08-09 EP disclosed
US-5354911-A From diacetals; catalyst composed of acid and amine HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-11 US disclosed
EP-0490221-A2 Method for the production of unsaturated ethers HOECHST AKTIENGESELLSCHAFT (DE) 1992-06-17 EP disclosed