SCHEMBL6497497

SCHEMBL6497497

CC(C)OC(Cc1ccnc(CNC(=O)c2ccc(OC3CCCC3)cc2Cl)c1)C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 5/20 0.38
HRH3 Q9Y5N1 3/20 0.36
LNPEP Q9UIQ6 5/20 0.36
MEN1 O00255 1/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 1/20 0.35
EPHX2 P34913 1/20 0.35
P2RX7 Q99572 1/20 0.35
WDR5 P61964 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
SCHEMBL6504861 0.90 HPGD (0.39) MEN1KMT2AHPGDRAB9AEPHX2
Trifluoroacetic Acid SCHEMBL6497487 0.90 S1PR3 (0.40) S1PR3HRH3LNPEP
SCHEMBL6499003 0.87 HPGD (0.37) S1PR3MEN1KMT2AHPGDRAB9A
SCHEMBL6505057 0.87 HPGD (0.48) KMT2AHPGDRAB9AEPHX2P2RX7
Trifluoroacetic Acid SCHEMBL6504858 0.79 HPGD (0.40) HPGDRAB9AP2RX7
Trifluoroacetic Acid SCHEMBL6498995 0.76 PPARG (0.39) HPGDRAB9A
Trifluoroacetic Acid SCHEMBL6505054 0.76 HPGD (0.49) KMT2AHPGDRAB9AEPHX2P2RX7
SCHEMBL6504395 0.74 PPARA (0.37) P2RX7WDR5
SCHEMBL6505593 0.74 ADORA2A (0.35) HPGDRAB9A
SCHEMBL6494741 0.74 PPARA (0.39) MEN1KMT2AWDR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed