SCHEMBL8773601

SCHEMBL8773601

COc1ccc(Nc2cc(C(=O)O)c(Nc3ccc(OC)cc3)cc2C(=O)O)cc1.Cc1ccc(Nc2cc(C(=O)O)c(Nc3ccc(C)cc3)cc2C(=O)O)cc1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 16/20 0.81
AKR1C2 P52895 16/20 0.81
MEN1 O00255 2/20 0.62
LMNA P02545 2/20 0.62
KMT2A Q03164 2/20 0.62
POLB P06746 1/20 0.62
MAPT P10636 1/20 0.62
CTSV O60911 1/20 0.60
CTSL P07711 1/20 0.60
HPGD P15428 1/20 0.52
GFER P55789 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 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
SCHEMBL14598926 1.00 AKR1C3 (0.81) AKR1C3AKR1C2MEN1LMNAKMT2A
SCHEMBL1415572 0.94 AKR1C3 (0.82) AKR1C3AKR1C2MEN1LMNAKMT2A
SCHEMBL8773607 0.93 AKR1C3 (0.71) AKR1C3AKR1C2MEN1LMNAKMT2A
SCHEMBL19934152 0.91 AKR1C3 (0.68) AKR1C3AKR1C2MEN1LMNAKMT2A
SCHEMBL9595156 0.90 AKR1C3 (1.00) AKR1C3AKR1C2MEN1LMNAKMT2A
SCHEMBL9594769 0.90 AKR1C3 (0.84) AKR1C3AKR1C2MEN1LMNAKMT2A
SCHEMBL9595705 0.90 AKR1C3 (0.71) AKR1C3AKR1C2MEN1LMNAKMT2A
SCHEMBL9593591 0.90 AKR1C3 (0.79) AKR1C3AKR1C2MEN1LMNAKMT2A
SCHEMBL14598923 0.89 AKR1C3 (0.78) AKR1C3AKR1C2MEN1LMNAKMT2A
SCHEMBL936023 0.89 AKR1C3 (0.69) AKR1C3AKR1C2MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805189-A2 Incorporation of pigment derivatives during quinacridone preparation processes Bayer Corporation (US) 1997-11-05 EP disclosed