SCHEMBL9560842

SCHEMBL9560842

Fc1ccc(CO/C=C(/c2ccc3c(c2)CCC3)C(F)(F)F)cc1Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.41
RXRB P28702 4/20 0.38
NPC1 O15118 8/20 0.36
RAB9A P51151 8/20 0.36
RXRA P19793 3/20 0.36
RXRG P48443 3/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
GFER P55789 1/20 0.34
PAX8 Q06710 1/20 0.34
KLF5 Q13887 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
LPAR1 Q92633 6/20 0.33
LPAR5 Q9H1C0 6/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL9560847 1.00 MAPK14 (0.41) MAPK14RXRBNPC1RAB9ARXRA
SCHEMBL9560570 0.84 L3MBTL1 (0.38) SMN1; SMN2GAAL3MBTL1MRGPRX4LPAR1
SCHEMBL9560573 0.84 L3MBTL1 (0.38) SMN1; SMN2GAAL3MBTL1MRGPRX4LPAR1
SCHEMBL9560896 0.82 MAPK14 (0.39) MAPK14RXRBRXRARXRGMRGPRX4
SCHEMBL9560901 0.82 MAPK14 (0.39) MAPK14RXRBRXRARXRGMRGPRX4
SCHEMBL9560799 0.81 RAB9A (0.38) MAPK14RXRBNPC1RAB9ARXRA
SCHEMBL9560802 0.81 RAB9A (0.38) MAPK14RXRBNPC1RAB9ARXRA
SCHEMBL9561171 0.81 LPAR1 (0.36) NPC1RAB9AGAALPAR1LPAR5
SCHEMBL9561164 0.81 LPAR1 (0.36) NPC1RAB9AGAALPAR1LPAR5
SCHEMBL9560746 0.73 MAPK14 (0.37) MAPK14RXRBNPC1RAB9ARXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225607-A Multistage etherification or dehydrohalogenation and reductive dechlorination IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
US-5196610-A INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 US disclosed
EP-0211561-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP disclosed
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 EP disclosed