SCHEMBL8154283

SCHEMBL8154283

CCCCCCOC(=Cc1ccccc1)C(=O)c1cc(OCCCCCC)c(OCCCCCC)c(OCCCCCC)c1OCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
CYP3A4 P08684 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
NR1I2 O75469 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PTPN11 Q06124 4/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL8146145 0.99 TSHR (0.44) LMNAALDH1A1TSHRCYP3A4MEN1
SCHEMBL8154638 0.95 TSHR (0.43) LMNAALDH1A1TSHRCYP3A4MEN1
SCHEMBL8160067 0.90 KMT2A (0.43) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL8145925 0.86 LMNA (0.50) LMNAALDH1A1TSHRCYP3A4MEN1
SCHEMBL8154501 0.86 TSHR (0.48) LMNAALDH1A1TSHRCYP3A4MEN1
SCHEMBL8160297 0.84 TSHR (0.47) LMNAALDH1A1TSHRCYP3A4MEN1
SCHEMBL10497654 0.81 CES2 (0.51) LMNAALDH1A1TSHRCYP3A4MEN1
SCHEMBL8146380 0.81 MEN1 (0.50) LMNATSHRMEN1KMT2AMAPT
SCHEMBL8152034 0.81 PTPN11 (0.41) LMNAALDH1A1TSHRCYP3A4MEN1
SCHEMBL8152892 0.80 TDP1 (0.45) LMNAALDH1A1TSHRCYP3A4MEN1

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-0996432-A2 BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES STATENS SERUMINSTITUT (DK) 2000-05-03 EP claimed
WO-1999000114-A2 BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES STATENS SERUM INSTITUT (DK) 1999-01-07 WO claimed