SCHEMBL9560799

SCHEMBL9560799

CC(C)(C)c1ccc(/C(=C/OCc2ccc(F)c(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
LPAR1 Q92633 6/20 0.37
LPAR5 Q9H1C0 6/20 0.37
NR4A2 P43354 2/20 0.37
NR4A1 P22736 1/20 0.37
NR4A3 Q92570 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK14 Q16539 1/20 0.34
NR1H4 Q96RI1 2/20 0.34
EPHX2 P34913 1/20 0.34
MAOB P27338 1/20 0.34
PPARG P37231 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
SCHEMBL9560802 1.00 RAB9A (0.38) RAB9AKMT2ALPAR1LPAR5NR4A2
SCHEMBL9560570 0.89 L3MBTL1 (0.38) LPAR1LPAR5NR4A2L3MBTL1
SCHEMBL9560573 0.89 L3MBTL1 (0.38) LPAR1LPAR5NR4A2L3MBTL1
SCHEMBL9561164 0.88 LPAR1 (0.36) RAB9ALPAR1LPAR5NPC1SENP7
SCHEMBL9561171 0.88 LPAR1 (0.36) RAB9ALPAR1LPAR5NPC1SENP7
SCHEMBL9560896 0.87 MAPK14 (0.39) LPAR1LPAR5RXRARXRBMAPK14
SCHEMBL9560901 0.87 MAPK14 (0.39) LPAR1LPAR5RXRARXRBMAPK14
SCHEMBL9560842 0.81 MAPK14 (0.41) RAB9AKMT2ALPAR1LPAR5L3MBTL1
SCHEMBL9560847 0.81 MAPK14 (0.41) RAB9AKMT2ALPAR1LPAR5L3MBTL1
SCHEMBL9862629 0.79 MAPT (0.39) KMT2ANR4A2L3MBTL1MAOBPPARG

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