SCHEMBL16634516

SCHEMBL16634516

COc1cc2[nH]cc(CC(NC(=O)OCc3ccccc3)C(=O)O)c2cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
LMNA P02545 1/20 0.62
NMBR P28336 2/20 0.57
GAA P10253 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
MME P08473 3/20 0.54
ECE1 P42892 3/20 0.54
TACR1 P25103 2/20 0.53
PLG P00747 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
MCL1 Q07820 1/20 0.51
PPARG P37231 1/20 0.51
CA2 P00918 1/20 0.51
ACE P12821 1/20 0.51
LNPEP Q9UIQ6 1/20 0.50

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
SCHEMBL17938398 0.94 MAPT (0.62) MAPTLMNANMBRGAAHTT
SCHEMBL16645287 0.94 MAPT (0.62) MAPTLMNANMBRGAAHTT
SCHEMBL17938396 0.93 MAPT (0.60) MAPTLMNANMBRGAAHTT
SCHEMBL7433854 0.88 KMT2A (0.66) MAPTLMNANMBRGAAHTT
SCHEMBL19068574 0.87 MAPT (0.60) MAPTLMNANMBRGAAHTT
SCHEMBL16645286 0.87 MAPT (0.60) MAPTLMNANMBRGAAHTT
SCHEMBL10899582 0.85 NMBR (0.62) MAPTLMNANMBRGAAHTT
SCHEMBL7436159 0.85 NMBR (0.62) MAPTLMNANMBRGAAHTT
SCHEMBL3036857 0.85 NMBR (0.62) MAPTLMNANMBRGAAHTT
SCHEMBL3808330 0.85 NMBR (0.76) MAPTLMNANMBRGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3054951-A1 INHIBITOR OF BREAST CANCER RESISTANCE PROTEIN (BCRP) Millennium Pharmaceuticals, Inc. (US) 2016-08-17 EP disclosed
WO-2015054132-A1 INHIBITOR OF BREAST CANCER RESISTANCE PROTEIN (BCRP) MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-04-16 WO disclosed