SCHEMBL13898950

SCHEMBL13898950

NC(Cc1ccccc1)C(=O)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
SLC7A5 Q01650 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DPP4 P27487 3/20 0.46
DPP8 Q6V1X1 2/20 0.46
DPP9 Q86TI2 2/20 0.46
DPP7 Q9UHL4 2/20 0.46
FAP Q12884 1/20 0.46
SLC15A1 P46059 1/20 0.45
HDAC8 Q9BY41 2/20 0.44
OPRD1 P41143 1/20 0.44
LTA4H P09960 1/20 0.43
ACE P12821 1/20 0.43

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
SCHEMBL26954878 0.86 L3MBTL1 (0.60) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8294303 0.82 F2 (0.52) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL11122774 0.82 ACE (0.48) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9848425 0.81 L3MBTL1 (0.45) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL22674760 0.77 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL21297195 0.77 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL29635014 0.77 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL22674759 0.77 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7332847 0.76 CPA1 (0.42) L3MBTL1LMNAMAPTHTTNPSR1
SCHEMBL13899246 0.76 LMNA (0.53) LMNAMAPTHTTNPSR1ACE

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
US-7511043-B2 FXR modulators AMGEN INC. (US) 2009-03-31 US disclosed
US-7511043-B2 FXR modulators AMGEN INC. (US) 2009-03-31 US disclosed