SCHEMBL10554124

SCHEMBL10554124

CCCCCC(CO)CCC(OS(=O)(=O)c1ccc(C)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
MCHR1 Q99705 1/20 0.36
APLNR P35414 3/20 0.35
CNR2 P34972 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PLA2G2C Q5R387 1/20 0.34
TBXAS1 P24557 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34

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
SCHEMBL17844737 0.84 CNR2 (0.43) LMNAMCHR1APLNRCNR2MEN1
SCHEMBL9434999 0.82 CA12 (0.43) LMNACNR2MEN1KMT2A
SCHEMBL6469914 0.81 CYP2D6 (0.40) LMNAMEN1KMT2A
SCHEMBL17164172 0.80 GSR (0.46) LMNA
SCHEMBL6982213 0.80 GSR (0.46) LMNA
SCHEMBL10554129 0.79 CYP2D6 (0.44) LMNAMCHR1APLNR
SCHEMBL7305249 0.76 ALDH1A1 (0.42) LMNA
SCHEMBL13315124 0.76 LMNA (0.46) LMNAMCHR1CNR2PLA2G2CPRSS1
SCHEMBL10033255 0.76 LMNA (0.46) LMNAMCHR1PLA2G2C
SCHEMBL4824188 0.74 MMP2 (0.39) MCHR1KMT2APLA2G2C

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-4818431-A ELECTROOPTICAL DISPLAY ELEMENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-04-04 US disclosed