SCHEMBL9417853

SCHEMBL9417853

CCc1cc(C(=O)c2cccc(C(=O)O)c2)c(O)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.47
HSP90AA1 P07900 2/20 0.46
HSP90AB1 P08238 1/20 0.46
MAPT P10636 6/20 0.44
HSD17B10 Q99714 5/20 0.44
KDM4E B2RXH2 5/20 0.44
LMNA P02545 4/20 0.44
ALOX15 P16050 4/20 0.44
HTT P42858 3/20 0.44
MAPK1 P28482 3/20 0.44
TP53 P04637 2/20 0.44
HPGD P15428 4/20 0.43
RECQL P46063 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
CA6 P23280 1/20 0.43
CYP3A4 P08684 1/20 0.43
KMT2A Q03164 6/20 0.43

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
SCHEMBL9417837 0.87 LMNA (0.55) SHBGHSP90AA1HSP90AB1MAPTHSD17B10
SCHEMBL9417792 0.86 RXRA (0.54) SHBGHSP90AA1HSP90AB1MAPTHSD17B10
SCHEMBL30096449 0.81 KDM4E (0.51) SHBGHSP90AA1HSP90AB1MAPTHSD17B10
SCHEMBL11524880 0.81 KLKB1 (0.50) MAPTHSD17B10KDM4EALOX15HPGD
SCHEMBL9417833 0.78 ALDH1A1 (0.64) SHBGHSP90AA1HSP90AB1MAPTHSD17B10
SCHEMBL17121759 0.77 KMT2A (0.63) SHBGHSP90AA1MAPTHSD17B10KDM4E
SCHEMBL18241740 0.77 MAPT (0.49) SHBGHSP90AA1HSP90AB1MAPTHSD17B10
SCHEMBL12553675 0.76 MAPT (0.53) SHBGHSP90AA1HSP90AB1MAPTHSD17B10
SCHEMBL31335625 0.76 MAPT (0.53) SHBGHSP90AA1HSP90AB1MAPTHSD17B10
SCHEMBL9417779 0.75 MRGPRX4 (0.46) MAPTHSD17B10KDM4ELMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5294613-A Benzene derivatives of p-substituted ether and acid or ester ELI LILLY AND COMPANY (US) 1994-03-15 US disclosed
US-4945099-A LEUKOTRIENE ANTAGONIST ELI LILLY AND COMPANY (US) 1990-07-31 US disclosed
EP-0276065-B1 ANTI-INFLAMMATORY AGENTS ELI LILLY AND COMPANY (US) 1990-06-06 EP disclosed
EP-0276065-A1 Anti-inflammatory agents ELI LILLY AND COMPANY (US) 1988-07-27 EP disclosed