SCHEMBL9560696

SCHEMBL9560696

CC(C)(C)c1ccc(C(Cl)(COCc2ccc(F)c(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.36
TTR P02766 1/20 0.35
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
MAOB P27338 1/20 0.33
LPAR1 Q92633 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
CHRM3 P20309 1/20 0.30
RIPK1 Q13546 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
CASP3 P42574 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL9560787 0.91 L3MBTL1 (0.34) TACR1TTRMRGPRX4
SCHEMBL9561293 0.91 LMNA (0.35) TACR1TTRLPAR1LPAR5KMT2A
SCHEMBL9560804 0.91 TTR (0.39) TTRLPAR1LPAR5RAB9ACHRM3
SCHEMBL9560383 0.90 TTR (0.34) TACR1TTRLPAR1LPAR5RAB9A
SCHEMBL9560321 0.89 MAPT (0.40) TTR
SCHEMBL9560860 0.88 CHRM5 (0.36) TACR1TTRMRGPRX4FFAR4
SCHEMBL9557873 0.87 NR4A1 (0.38) TACR1TTRNR4A1NR4A2NR4A3
SCHEMBL9637906 0.86 L3MBTL1 (0.33) TACR1TTRKMT2AMRGPRX4POLB
SCHEMBL9637902 0.86 L3MBTL1 (0.33) TACR1TTRKMT2AMRGPRX4POLB
SCHEMBL9560793 0.85 NR4A1 (0.36) TACR1TTRNR4A1NR4A2NR4A3

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