SCHEMBL6636713

SCHEMBL6636713

COc1cc(NC(=O)C2CCC(C(N)=O)C2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.50
▸ HSD17B10 Q99714 3/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MAPK10 P53779 1/20 0.42

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
SCHEMBL6636718 0.83 POLB (0.47) POLBHSD17B10MEN1KMT2ATSHR
SCHEMBL1233566 0.74 SMN1; SMN2 (0.53) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL6641070 0.74 ALPL (0.43) POLBKMT2AHPGD
Hydrochloric Acid SCHEMBL27528526 0.73 SMN1; SMN2 (0.51) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL14424273 0.73 POLB (0.45) POLBHSD17B10MEN1KMT2ATSHR
SCHEMBL13203880 0.73 NPY5R (0.49) POLBHSD17B10MEN1KMT2ATSHR
SCHEMBL10113376 0.73 NPY5R (0.49) POLBHSD17B10MEN1KMT2ATSHR
SCHEMBL10114842 0.73 POLB (0.45) POLBHSD17B10MEN1KMT2ATSHR
SCHEMBL6640469 0.71 TDP1 (0.66) POLBMEN1KMT2ASIRT5
SCHEMBL29663729 0.70 MAPT (0.69) POLBMEN1KMT2AMAPTALDH1A1

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
EP-1250340-B1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 LILLY CO ELI (US) 2004-11-17 — — EP disclosed
EP-1250340-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-10-23 — — EP disclosed
WO-2001046199-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-06-28 — — WO disclosed
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