SCHEMBL10344370

SCHEMBL10344370

[CH2]c1c(F)c(F)c(F)c(F)c1-c1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 2/20 0.34
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
HTT P42858 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
PDK2 Q15119 1/20 0.32
MYC P01106 1/20 0.32
IDO1 P14902 1/20 0.32
METAP2 P50579 1/20 0.32
KCNN4 O15554 1/20 0.31
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL4154665 0.85 ACHE (0.46) ACHENPC1RAB9ASMN1; SMN2CASP3
SCHEMBL10765844 0.72 GCGR (0.35) ACHENPC1RAB9ASMN1; SMN2CASP3
SCHEMBL9548115 0.70 LMNA (0.39) ACHEHTTALDH1A1BRD4
SCHEMBL22036106 0.69 LMNA (0.44) ACHENPC1RAB9ASMN1; SMN2CASP3
SCHEMBL2941073 0.68 HEXA (0.40) ACHENPC1RAB9ASMN1; SMN2CASP3
SCHEMBL1133067 0.68 MYC (0.56) ACHENPC1RAB9ASMN1; SMN2CASP3
SCHEMBL25223032 0.67 MEN1 (0.35) NPC1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL12887878 0.67 MEN1 (0.35) ACHENPC1RAB9ASMN1; SMN2TSHR
SCHEMBL8397577 0.67 MEN1 (0.35) ACHENPC1RAB9ASMN1; SMN2TSHR
SCHEMBL17035490 0.67 ACHE (0.46) ACHENPC1RAB9ASMN1; SMN2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221635-B1 FLUORO ALCOHOLS AND INSECTICIDAL ESTERS THEREOF IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-03-14 EP disclosed
US-4714790-A Fluoro alcohols and insecticidal esters thereof IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-12-22 US disclosed
EP-0221635-A1 Fluoro alcohols and insecticidal esters thereof IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-05-13 EP disclosed