SCHEMBL11073004

SCHEMBL11073004

C=CCCCCCNc1cccc(CC(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SELP P16109 2/20 0.43
SELE P16581 2/20 0.43
HPSE Q9Y251 2/20 0.43
ADRB2 P07550 1/20 0.42
ADRB3 P13945 1/20 0.42
NR1H4 Q96RI1 2/20 0.41
SELL P14151 1/20 0.41
S1PR5 Q9H228 3/20 0.40
S1PR4 O95977 3/20 0.40
ENPP2 Q13822 1/20 0.38
ABCC4 O15439 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
AKR1B1 P15121 1/20 0.38

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
SCHEMBL11935000 0.82 SELP (0.49) SELPSELEHPSEADRB2ADRB3
SCHEMBL11065554 0.81 PPARA (0.50) PPARGPPARA
SCHEMBL11065557 0.81 PPARA (0.50) PPARGPPARA
SCHEMBL11306547 0.81 HDAC11 (0.51) SELPSELEHPSEADRB2ADRB3
SCHEMBL11073287 0.80 HPSE (0.52) SELPSELEHPSEADRB2ADRB3
SCHEMBL5534461 0.79 SELP (0.48) SELPSELEHPSEADRB2ADRB3
SCHEMBL11306397 0.77 FFAR1 (0.43) NR1H4ABCC4MAPTKDM4ERAB9A
SCHEMBL11306400 0.77 FFAR1 (0.43) NR1H4ABCC4MAPTKDM4ERAB9A
SCHEMBL5523734 0.76 SELP (0.50) SELPSELEHPSEADRB2ADRB3
SCHEMBL11067526 0.75 AKR1C3 (0.51) KDM4ENPC1RAB9APPARA

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-4440940-A HYPOLIPIDEMIC AND ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-04-03 US disclosed