SCHEMBL7785294

SCHEMBL7785294

COc1ccc(C(NC(C)c2ccc(F)c(F)c2)c2ccc(F)c(Nc3c(OC(C)(C)C)c(=O)c3=O)c2)cc1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
APP P05067 1/20 0.30
CYP2C19 P33261 1/20 0.30
PDPK1 O15530 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7780331 0.92 ALDH1A1 (0.32) ALDH1A1LMNAGAA
SCHEMBL7785125 0.90 CXCR2 (0.32)
SCHEMBL7780305 0.88 KMT2A (0.38) ALDH1A1LMNAGAAHTT
SCHEMBL7787653 0.88 KMT2A (0.38) ALDH1A1LMNAGAAHTT
SCHEMBL7785270 0.88 KMT2A (0.38) ALDH1A1LMNAGAAHTT
SCHEMBL7780535 0.85 POLB (0.35) ALDH1A1MAPTHTTL3MBTL1
SCHEMBL7785537 0.84 VNN1 (0.38) ALDH1A1LMNAGAAPDPK1MAPT
SCHEMBL7780384 0.84 CXCR2 (0.33)
Hydrochloric Acid SCHEMBL7801938 0.84 CXCR2 (0.35) ALDH1A1LMNAGAAAPPCYP2C19
SCHEMBL7787503 0.83 POLB (0.33) ALDH1A1GAAMAPTHTTL3MBTL1

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-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed