SCHEMBL7797760

SCHEMBL7797760

Cc1c(CCC(=O)O)c(=O)oc2cc(O)c(O)cc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.71
HSD17B10 Q99714 3/20 0.71
ALDH1A1 P00352 2/20 0.71
GLA P06280 2/20 0.71
GAA P10253 2/20 0.71
HPGD P15428 2/20 0.71
CASP1 P29466 2/20 0.71
CASP7 P55210 2/20 0.71
TSHR P16473 1/20 0.71
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
LMNA P02545 2/20 0.67
POLB P06746 5/20 0.60
MAPT P10636 2/20 0.60
PSMB8 P28062 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
GFER P55789 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CTDSP1 Q9GZU7 2/20 0.53
GPR35 Q9HC97 1/20 0.51

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
SCHEMBL6478947 0.85 KDM4E (0.61) KDM4EHSD17B10ALDH1A1GLAGAA
SCHEMBL7798964 0.84 KDM4E (0.74) KDM4EHSD17B10ALDH1A1GLAGAA
SCHEMBL8374891 0.84 HSD17B3 (0.61) KDM4EHSD17B10ALDH1A1GLAGAA
SCHEMBL7023152 0.83 KDM4E (1.00) KDM4EHSD17B10ALDH1A1GLAGAA
SCHEMBL26458893 0.80 KDM4E (1.00) KDM4EHSD17B10ALDH1A1GLAGAA
SCHEMBL7576024 0.80 KDM4E (0.74) KDM4EHSD17B10ALDH1A1GLAGAA
SCHEMBL27554307 0.80 ALDH1A1 (0.49) KDM4EHSD17B10ALDH1A1GLAGAA
SCHEMBL9545054 0.78 KDM4E (0.69) KDM4EHSD17B10ALDH1A1GLAGAA
SCHEMBL4706717 0.78 KDM4E (0.64) KDM4EHSD17B10ALDH1A1GLAGAA
SCHEMBL14925305 0.77 KDM4E (0.65) KDM4EHSD17B10ALDH1A1GLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900230-B1 ESCULETIN DERIVATIVES IDG UK LTD (GB) 2001-12-12 EP disclosed
US-6287798-B1 COMPOUND WHICH IS HYDROLYZABLE BY MICROORGANISMS FOR DETECTION IN SAMPLES; FORMS BLACK, INSOLUBLE, NONDIFFUSABLE COMPOUND IDG (UK) LIMITED (GB) 2001-09-11 US disclosed
US-6008008-A 6- OR 7-SUBSTITUTED DERIVATIVES WHICH ARE MICROBIALLY HYDROLYZABLE TO FLUORESCENT, IRON CHELATING MOIETIES WHICH ARE NONDIFFUSING IN AGAR AND OTHER AQUEOUS ENVIRONMENTS; FOR DETECTION OF MICROORGANISMS IDG (UK) LIMITED (GB) 1999-12-28 US disclosed
EP-0900230-A2 ESCULETIN DERIVATIVES IDG (UK) Limited (GB) 1999-03-10 EP disclosed
WO-1997041138-A2 ESCULETIN DERIVATIVES IDG (UK) LIMITED (GB) 1997-11-06 WO disclosed