SCHEMBL7228564

SCHEMBL7228564

COC(=O)CCc1ccc2c(CC(N)C(=O)O)oc(C(C)(C)C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 7/20 0.41
PTPN1 P18031 2/20 0.39
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
KMT2A Q03164 1/20 0.35
GRIK5 Q16478 1/20 0.35
BLM P54132 1/20 0.35
TPH1 P17752 2/20 0.34
USP2 O75604 1/20 0.34
EGFR P00533 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL7690008 0.79 ALDH1A1 (0.52) KDM4EMEN1KMT2ATDP1
SCHEMBL7660987 0.78 PTPN1 (0.38) PTPN1KDM4EMEN1KMT2AHSD17B10
SCHEMBL6977333 0.78 SLC7A5 (0.44) SLC7A5PTPN1KDM4ETPH1USP2
SCHEMBL7542381 0.74 SLC7A5 (0.57) SLC7A5PTPN1KDM4EMEN1KMT2A
SCHEMBL6977330 0.72 SLC7A5 (0.44) SLC7A5PTPN1KDM4ETPH1USP2
SCHEMBL7395992 0.71 PTPN1 (0.39) PTPN1KDM4EHSD17B10SIRT2
SCHEMBL7599894 0.69 PTPN1 (0.33) SLC7A5PTPN1KDM4ESIRT2
SCHEMBL7395988 0.65 KDM4E (0.46) PTPN1KDM4EHSD17B10
SCHEMBL24503003 0.64 CNR2 (0.45) KDM4EMEN1KMT2A
SCHEMBL7538142 0.64 ALDH1A1 (0.47) SLC7A5PTGS2TDP1

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-6586442-B2 Benzofurane derivatives, their preparation process, their use as medicaments and the pharmaceutical compositions containing them CARNIATO DENIS (FR) 2003-07-01 US disclosed
US-6458801-B1 PHARMACEUTICALLY ACCEPTABLE SALTS AND ITS PRODRUG USEFUL FOR TREATING OSTEOPOROSIS. AVENTIS PHARMA S.A. (FR) 2002-10-01 US disclosed