SCHEMBL4748209

SCHEMBL4748209

COC(=O)C1CCCCN1Cc1ccc(OCCc2coc(-c3ccccc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.52
PPARG P37231 6/20 0.49
PPARA Q07869 4/20 0.49
GAA P10253 1/20 0.47
CD274 Q9NZQ7 5/20 0.47
FFAR1 O14842 1/20 0.46
PDCD1 Q15116 3/20 0.45
HRH3 Q9Y5N1 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4744478 0.97 LTA4H (0.55) LTA4HPPARGPPARAGAACD274
SCHEMBL4744385 0.91 CD274 (0.54) PPARGPPARAGAACD274FFAR1
SCHEMBL4747354 0.90 LTA4H (0.48) LTA4HPPARGPPARAGAACD274
SCHEMBL4746603 0.90 ALDH1A1 (0.52) LTA4HPPARGPPARAGAACD274
SCHEMBL4746563 0.89 FFAR1 (0.55) LTA4HPPARGPPARAGAACD274
SCHEMBL4748002 0.89 CD274 (0.50) LTA4HPPARGPPARAGAACD274
SCHEMBL4748001 0.89 CD274 (0.50) LTA4HPPARGPPARAGAACD274
SCHEMBL4746190 0.87 PPARG (0.51) LTA4HPPARGPPARAGAACD274
SCHEMBL4743787 0.85 PPARG (0.61) PPARGPPARA
SCHEMBL4743784 0.85 PPARG (0.61) PPARGPPARA

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-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 WO disclosed