SCHEMBL7076864

SCHEMBL7076864

COc1ccc(CCCCCCC(C(=O)O)C(C)C)cc1OCC#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LDHA P00338 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39

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
SCHEMBL7076862 1.00 PPARA (0.42) PPARAPPARGKDM4EALDH1A1LDHA
SCHEMBL6940732 0.84 MTNR1A (0.54) KDM4ETRPV1PDE4APDE4BPDE4C
SCHEMBL6947408 0.84 SIGMAR1 (0.54) PPARAPPARGSIGMAR1
SCHEMBL6940727 0.84 MTNR1A (0.54) KDM4ETRPV1PDE4APDE4BPDE4C
SCHEMBL6947411 0.84 SIGMAR1 (0.54) PPARAPPARGSIGMAR1
SCHEMBL6940648 0.83 TUBB4A (0.54) PPARAPPARGKDM4ETRPV1TUBB4A
SCHEMBL6940652 0.83 TUBB4A (0.54) PPARAPPARGKDM4ETRPV1TUBB4A
SCHEMBL6942961 0.82 REN (0.44) PPARAPPARGPDE4APDE4BPDE4C
SCHEMBL6942964 0.82 REN (0.44) PPARAPPARGPDE4APDE4BPDE4C
SCHEMBL6941201 0.73 PPARA (0.45) PPARAPPARGLDHAPDE4APDE4B

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
WO-2003103653-A1 METHODS OF TREATING ALZHEIMER'S DISEASE USING ARYL ALKANOIC ACID AMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed