SCHEMBL7524950

SCHEMBL7524950

CCCCCOC(CC(C)C)OCCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.43
CA1 P00915 9/20 0.37
CA2 P00918 9/20 0.37
CA9 Q16790 8/20 0.37
CA12 O43570 3/20 0.35
CA7 P43166 3/20 0.35
CA14 Q9ULX7 3/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
RECQL P46063 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 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
SCHEMBL25544295 0.98 DNM1 (0.47) DNM1CA1CA2CA9CA12
SCHEMBL7527943 0.93 ADRB2 (0.36) DNM1CA1CA2ALDH1A1TSHR
SCHEMBL7055915 0.82 HSD17B10 (0.33) ALDH1A1TSHRMAPK1
SCHEMBL8347145 0.79 ADRB2 (0.41) DNM1CA1CA2CA9ALDH1A1
SCHEMBL2330968 0.79 DNM1 (0.47) DNM1CA1CA2CA9CA12
SCHEMBL1411254 0.79 DNM1 (0.47) DNM1CA1CA2CA9CA12
SCHEMBL1411286 0.79 DNM1 (0.47) DNM1CA1CA2CA9CA12
SCHEMBL497154 0.79 DNM1 (0.42) DNM1CA1CA2CA9CA12
SCHEMBL1883777 0.79 DNM1 (0.47) DNM1CA1CA2CA9CA12
SCHEMBL25544303 0.79 DNM1 (0.42) DNM1CA1CA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0703211-B1 Process for the preparation of unsaturated ethers DEGUSSA (DE) 1999-11-10 EP 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