SCHEMBL6577530

SCHEMBL6577530

C=C(C)COc1ccc(C2(c3ccc(OCC(=C)C)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 1/20 0.47
MEN1 O00255 8/20 0.45
KMT2A Q03164 8/20 0.45
MAPT P10636 7/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
OPRK1 P41145 1/20 0.45
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
NPSR1 Q6W5P4 5/20 0.38
ALOX12 P18054 2/20 0.38
TP53 P04637 3/20 0.38
MAPK1 P28482 3/20 0.38
USP2 O75604 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 2/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL16425349 0.86 MAPT (0.41) GPR174MEN1KMT2AMAPTLMNA
SCHEMBL534499 0.84 MAPT (0.39) GPR174MEN1KMT2AMAPTLMNA
SCHEMBL13962705 0.82 POLB (0.40) MEN1KMT2AMAPTMAPK1USP2
SCHEMBL7595572 0.79 PDK2 (0.58) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL29506891 0.79 MEN1 (0.52) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL14119981 0.79 SMN1; SMN2 (0.52) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL816912 0.79 MEN1 (0.52) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL16425350 0.78 MEN1 (0.42) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL19886379 0.78 PDK2 (0.40) GPR174MEN1KMT2AMAPTLMNA
SCHEMBL3760944 0.78 PDK2 (0.41) MEN1KMT2AMAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080084-B1 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC (US) 2004-05-06 EP claimed
JP-2002517387-A 2002-06-18 JP claimed
EP-1080084-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 2001-03-07 EP claimed
US-6087513-A REACTION OF ALLYL ARYL ETHER WITH HYDROGEN PEROXIDE IN THE PRESENCE OF TRANSITION METALS FOR OXIDATION THE DOW CHEMICAL COMPANY (US) 2000-07-11 US claimed
WO-1999062894-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 1999-12-09 WO claimed