SCHEMBL7089316

SCHEMBL7089316

CCCCCCCOc1ccc(OCCCCCCC)c(C(N)=O)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.67
NR1I2 O75469 1/20 0.67
LMNA P02545 1/20 0.67
CHRM2 P08172 1/20 0.67
CYP3A4 P08684 1/20 0.67
ADRA2A P08913 1/20 0.67
MAPT P10636 1/20 0.67
OPRK1 P41145 1/20 0.67
HTR2B P41595 1/20 0.67
SLC6A3 Q01959 1/20 0.67
KMT2A Q03164 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
PTPN11 Q06124 7/20 0.54
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
S1PR3 Q99500 1/20 0.51
PLA2G4B P0C869 1/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL6677588 0.95 LMNA (0.59) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL25788077 0.87 PTPN11 (0.67) PTPN11TP53TSHRS1PR3PLA2G4B
SCHEMBL15728128 0.87 THRA (0.50) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL9417624 0.87 PTPN11 (0.67) PTPN11TP53TSHRS1PR3PLA2G4B
SCHEMBL5854283 0.85 MAPT (0.67) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL27518516 0.85 MAPT (0.67) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL35211213 0.85 PTPN11 (0.64) PTPN11TP53TSHRS1PR3PLA2G4B
SCHEMBL12432871 0.84 THRB (0.55) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL201318 0.84 THRB (0.55) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL201493 0.84 MEN1 (0.54) MEN1NR1I2LMNACHRM2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030191023-A1 Thermosensitive recording material FUJI PHOTO FILM CO., LTD. 2003-10-09 US disclosed