SCHEMBL23720570

SCHEMBL23720570

Nc1ccc(C(=O)O)c(C(=O)NCC(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.57
MAPT P10636 5/20 0.57
HIF1A Q16665 2/20 0.57
SLC22A6 Q4U2R8 1/20 0.57
SLC22A8 Q8TCC7 1/20 0.57
ALDH1A1 P00352 5/20 0.49
TDP1 Q9NUW8 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
THRB P10828 2/20 0.49
RECQL P46063 2/20 0.49
CYP3A4 P08684 2/20 0.49
APEX1 P27695 2/20 0.49
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
BLM P54132 1/20 0.49
MCL1 Q07820 1/20 0.49
TNF P01375 1/20 0.49
HSPD1 P10809 1/20 0.49

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
SCHEMBL17774860 0.83 KDM4E (0.58) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL31161439 0.82 ALDH1A1 (0.55) KDM4EMAPTHIF1AALDH1A1TDP1
SCHEMBL6651826 0.82 MAPT (0.56) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL15610498 0.82 KDM4E (0.56) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL10528953 0.82 KDM4E (0.60) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL15630970 0.82 KDM4E (0.56) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL8768842 0.81 MAPT (0.54) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL19445617 0.78 KDM4E (0.51) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL29364937 0.78 ALDH1A1 (0.68) KDM4EMAPTHIF1AALDH1A1TDP1
SCHEMBL231377 0.78 ALDH1A1 (0.68) KDM4EMAPTHIF1AALDH1A1TDP1

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-3875082-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS Endocyte, Inc. (US) 2021-09-08 EP disclosed
EP-3858341-A1 PSMA LIGAND-CONTAINING CONJUGATES FOR THE TREATMENT OF PROSTATE CANCER Endocyte, Inc. (US) 2021-08-04 EP disclosed