SCHEMBL9209835

SCHEMBL9209835

CCC=CCCCCCCCCC(C)(C)NCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.38
PPARA Q07869 3/20 0.38
ALDH1A1 P00352 3/20 0.35
F7 P08709 2/20 0.35
F3 P13726 2/20 0.35
MAPT P10636 2/20 0.35
CYP19A1 P11511 2/20 0.35
OXER1 Q8TDS5 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
FFAR1 O14842 1/20 0.35
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
PLA2G1B P04054 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL9211740 0.91 PPARA (0.46) ACLYPPARAF7F3FAAH
SCHEMBL9211452 0.91 PPARA (0.46) ACLYPPARAF7F3FAAH
SCHEMBL9209293 0.89 PPARA (0.43) ACLYPPARAF7F3FAAH
SCHEMBL9205901 0.78 EPHX1 (0.39) PPARAALDH1A1
SCHEMBL2937545 0.78 EPHX1 (0.39) PPARAALDH1A1
SCHEMBL9206085 0.78 EPHX1 (0.39) PPARAALDH1A1
SCHEMBL9204096 0.78 EPHX1 (0.39) PPARAALDH1A1
SCHEMBL27743520 0.78 EPHX1 (0.39) PPARAALDH1A1
SCHEMBL9210731 0.78 FAAH (0.45) ACLYPPARAF7F3MAPT
SCHEMBL9206205 0.78 FAAH (0.41) ACLYPPARAF7F3MAPT

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
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed