SCHEMBL7399102

SCHEMBL7399102

O=C(O)CCCCCCCCc1cccc(O)c1O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IAPP P10997 4/20 0.57
F13A1 P00488 3/20 0.53
MAPT P10636 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
BID P55957 4/20 0.50
MCL1 Q07820 4/20 0.50
BCL2L1 Q07817 3/20 0.50
BAK1 Q16611 3/20 0.50
KAT8 Q9H7Z6 2/20 0.50
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
EP300 Q09472 1/20 0.50
KAT2A Q92830 1/20 0.50
KAT2B Q92831 1/20 0.50
KAT5 Q92993 1/20 0.50
SAE1 Q9UBE0 1/20 0.50

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
SCHEMBL16795917 0.93 IAPP (0.61) IAPPBIDMCL1BCL2L1BAK1
Palmitic Acid SCHEMBL27612750 0.86 IAPP (0.62) IAPPMAPTBIDMCL1BCL2L1
SCHEMBL17078356 0.86 MAPT (0.61) IAPPF13A1MAPTRXFP1BID
SCHEMBL8009468 0.86 MAPT (0.61) IAPPF13A1MAPTRXFP1BID
SCHEMBL2517305 0.86 MAPT (0.61) IAPPF13A1MAPTRXFP1BID
SCHEMBL17078364 0.86 MAPT (0.61) IAPPF13A1MAPTRXFP1BID
SCHEMBL16230472 0.86 MAPT (0.61) IAPPF13A1MAPTRXFP1BID
SCHEMBL244943 0.85 IAPP (0.70) IAPP
SCHEMBL30485631 0.85 IAPP (0.70) IAPP
SCHEMBL31086218 0.85 F13A1 (0.51) F13A1MAPTRXFP1BIDMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5646183-A Phenyl amidine alkanoic acids useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1997-07-08 US disclosed
US-5612355-A Phenyl amidine lactones useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1997-03-18 US disclosed
WO-1994000424-A1 PHENYL AMIDINE ALKANOIC ACIDS AND LACTONES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-01-06 WO disclosed