SCHEMBL4873646

SCHEMBL4873646

COC(=O)[C@H]1CCCCN1Cc1ccc(OCCc2coc(-c3cc(C)ccc3C)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 6/20 0.43
PDCD1 Q15116 4/20 0.43
LTA4H P09960 2/20 0.43
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 4/20 0.40
GRM2 Q14416 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
CHEK2 O96017 1/20 0.38
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL4747354 0.86 LTA4H (0.48) CD274LTA4HALDH1A1GAAL3MBTL1
SCHEMBL4748209 0.85 LTA4H (0.52) CD274PDCD1LTA4HGAAMEN1
SCHEMBL4744478 0.82 LTA4H (0.55) CD274PDCD1LTA4HALDH1A1GAA
SCHEMBL4746603 0.81 ALDH1A1 (0.52) CD274LTA4HALDH1A1GAAKDM4E
SCHEMBL4746190 0.79 PPARG (0.51) CD274LTA4HALDH1A1GAAL3MBTL1
SCHEMBL4746710 0.78 CD274 (0.46) CD274PDCD1LTA4HGAACHEK2
SCHEMBL4746706 0.78 CD274 (0.46) CD274PDCD1LTA4HGAACHEK2
SCHEMBL4744385 0.76 CD274 (0.54) CD274PDCD1GAAPPARGPPARA
SCHEMBL4746563 0.74 FFAR1 (0.55) CD274PDCD1LTA4HALDH1A1GAA
SCHEMBL4743787 0.74 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