SCHEMBL11059899

SCHEMBL11059899

C=CCCCCCCCC/C=C/CCCNc1cccc(C(=O)C(C(=O)OCC)C(=O)OC(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL11059903 1.00 PPARA (0.34) PPARAALDH1A1KDM4EHPGDNPC1
SCHEMBL11068125 0.93 PPARA (0.41) PPARAHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL11067293 0.89 MAPT (0.33) PPARAALDH1A1KDM4ENPC1RAB9A
SCHEMBL11067295 0.89 MAPT (0.33) PPARAALDH1A1KDM4ENPC1RAB9A
SCHEMBL11299113 0.81 CNR1 (0.38) PPARAKDM4ERAB9ACYP1A2FAAH
SCHEMBL11502963 0.77 CYP3A4 (0.36) PPARAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11067539 0.75 AKR1C3 (0.51) PPARAALDH1A1KDM4EHPGDNPC1
SCHEMBL11067526 0.75 AKR1C3 (0.51) PPARAALDH1A1KDM4EHPGDNPC1
SCHEMBL11068468 0.74 SOAT2 (0.47) PPARAKDM4EMAPTHDAC8HDAC11
SCHEMBL11068475 0.74 SOAT2 (0.47) PPARAKDM4EMAPTHDAC8HDAC11

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