SCHEMBL7635985

SCHEMBL7635985

CC(=O)Cl.CCCCCCOc1ccccc1OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
MEN1 O00255 1/20 0.56
NR1I2 O75469 1/20 0.56
CHRM2 P08172 1/20 0.56
CYP3A4 P08684 1/20 0.56
ADRA2A P08913 1/20 0.56
MAPT P10636 1/20 0.56
OPRK1 P41145 1/20 0.56
HTR2B P41595 1/20 0.56
SLC6A3 Q01959 1/20 0.56
KMT2A Q03164 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
PTGS2 P35354 10/20 0.56
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
PLA2G4B P0C869 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL10803248 0.95 LMNA (0.60) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL6737922 0.95 LMNA (0.60) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL18554198 0.94 PTGS2 (0.59) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL27645083 0.89 PTGS2 (0.59) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL1963883 0.83 LMNA (0.60) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL5613698 0.83 LMNA (0.60) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL898711 0.82 LMNA (0.59) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL10489180 0.82 CNR1 (0.60) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL21847983 0.82 LMNA (0.56) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL27913901 0.82 LMNA (0.56) LMNAMEN1NR1I2CHRM2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240272-A2 A NEW FAMILY OF CONDUCTING LIQUID CRYSTALS THE UNIVERSITY OF LEEDS (GB) 2002-09-18 EP disclosed
WO-2001042391-A2 A NEW FAMILY OF CONDUCTING LIQUID CRYSTALS UNIVERSITY OF LEEDS (GB) 2001-06-14 WO disclosed