SCHEMBL7784888

SCHEMBL7784888

CCC(NC(c1ccc(OC)cc1)c1cccc(Nc2c(OC(C)(C)C)c(=O)c2=O)c1)c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
CXCR2 P25025 6/20 0.37
PDE2A O00408 6/20 0.34
MAPKAPK2 P49137 1/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31

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
SCHEMBL7787653 0.90 KMT2A (0.38) MEN1KMT2APOLBMAPKAPK2TSHR
SCHEMBL7780305 0.90 KMT2A (0.38) MEN1KMT2APOLBMAPKAPK2TSHR
SCHEMBL7785270 0.90 KMT2A (0.38) MEN1KMT2APOLBMAPKAPK2TSHR
Hydrochloric Acid SCHEMBL7785515 0.85 CXCR2 (0.43) MEN1KMT2APOLBCXCR2PDE2A
SCHEMBL7785567 0.85 TDP1 (0.42) MEN1KMT2APOLBMAPKAPK2ALDH1A1
SCHEMBL7785532 0.84 KMT2A (0.38) MEN1KMT2APOLBMAPKAPK2TSHR
SCHEMBL7787592 0.84 KMT2A (0.38) MEN1KMT2APOLBMAPKAPK2TSHR
SCHEMBL7785094 0.84 MAPKAPK2 (0.35) MEN1KMT2APOLBCXCR2MAPKAPK2
SCHEMBL7787598 0.83 MAPKAPK2 (0.43) MEN1KMT2APOLBMAPKAPK2ALDH1A1
SCHEMBL7787694 0.82 KMT2A (0.41) MEN1KMT2APOLBMAPKAPK2TSHR

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