SCHEMBL8996345

SCHEMBL8996345

COc1cccc2c1C(=O)c1c(OC)cc(C(=O)O)c(OC)c1C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.56
PIM1 P11309 1/20 0.56
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
GPR35 Q9HC97 1/20 0.48
ELANE P08246 3/20 0.48
KDM4E B2RXH2 4/20 0.46
USP2 O75604 2/20 0.46
DUSP3 P51452 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 2/20 0.45
HSD17B10 Q99714 1/20 0.45
TTR P02766 2/20 0.44
FGFR1 P11362 1/20 0.44
SRC P12931 1/20 0.44
FGFR2 P21802 1/20 0.44

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
SCHEMBL8996410 0.89 MAPT (0.56) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8996393 0.87 MAPT (0.50) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL27401718 0.86 EGFR (0.55) EGFRPIM1ALDH1A1MEN1KMT2A
SCHEMBL27404462 0.82 EGFR (0.50) EGFRPIM1ALDH1A1MEN1KMT2A
SCHEMBL8996409 0.80 KDM4E (0.64) EGFRPIM1ALDH1A1MEN1KMT2A
SCHEMBL10974170 0.78 EGFR (0.74) EGFRPIM1ALDH1A1MEN1KMT2A
SCHEMBL8996312 0.77 TTR (0.71) EGFRPIM1ALDH1A1MEN1KMT2A
SCHEMBL3417492 0.76 EGFR (0.76) EGFRPIM1ALDH1A1MEN1KMT2A
SCHEMBL11432460 0.75 EGFR (0.45) EGFRPIM1ALDH1A1MEN1KMT2A
SCHEMBL8947495 0.74 EGFR (0.73) EGFRPIM1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480873-A ARTHRITIS LILLY INDUSTRIES LIMITED (GB) 1996-01-02 US disclosed
CN-1079732-A Medical compounds LILLY INDUSTRIES LTD (GB) 1993-12-22 CN disclosed
EP-0570091-A1 Anthraquinone derivatives, process for their preparation and their use as medicaments LILLY INDUSTRIES LIMITED (GB) 1993-11-18 EP disclosed