SCHEMBL5640187

SCHEMBL5640187

CCc1c(C)ccc(C(=O)O)c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
CXCR2 P25025 2/20 0.33
HSD11B1 P28845 1/20 0.33
KMT2A Q03164 2/20 0.33
SORT1 Q99523 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
CXCR1 P25024 1/20 0.33
ADORA1 P30542 1/20 0.31
USP2 O75604 1/20 0.31
CYP2C19 P33261 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 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
SCHEMBL17205759 0.82 KDM4E (0.37) KDM4EALDH1A1HPGDHSD17B10RXRA
SCHEMBL28938014 0.77 CLCN2 (0.42) KDM4EALDH1A1HPGDHSD17B10HSD11B1
SCHEMBL2578858 0.77 MAPT (0.43) KDM4EALDH1A1HPGDHSD17B10MRGPRX4
SCHEMBL7929322 0.77 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL5159925 0.76 HSD17B10 (0.39) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL23925909 0.76 ATM (0.33) CXCR2CXCR1
SCHEMBL5738308 0.75 MRGPRX4 (0.37) KDM4EALDH1A1HPGDHSD17B10CXCR2
SCHEMBL1811629 0.75 PTGS1 (0.41) ALDH1A1RXRARXRBCXCR2HSD11B1
SCHEMBL15226463 0.74 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10RXRA
SCHEMBL7133685 0.74 NOTUM (0.41) KDM4EALDH1A1HPGDHSD17B10CXCR2

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
US-7205313-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2007-04-17 US disclosed