SCHEMBL1578073

SCHEMBL1578073

C[C@@H](Cc1ccc(O)cc1C(=O)O)NC(=O)OCc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
NAMPT P43490 1/20 0.38
ELANE P08246 1/20 0.38
PRTN3 P24158 1/20 0.37
CTRB1 P17538 2/20 0.37
AAK1 Q2M2I8 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
ACACB O00763 1/20 0.37

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
SCHEMBL1578494 0.90 CA12 (0.43) POLBATMMEN1KMT2ACTSL
SCHEMBL1578852 0.86 POLB (0.48) POLBATMCTSLCTSSCTSK
SCHEMBL1578291 0.86 EGFR (0.37) ATMMEN1KMT2AELANEPRTN3
SCHEMBL1578391 0.85 KCNA5 (0.49) CTSLCTSSCTSK
Hydrochloric Acid SCHEMBL1578094 0.84 KCNA5 (0.49) CTSLCTSSCTSK
SCHEMBL4328756 0.78 CA12 (0.43) MEN1KMT2AMAPTTSHR
SCHEMBL1335603 0.73 POLB (0.53) POLBATMCTSLCTSSCTSK
SCHEMBL9782114 0.71 CTRB1 (0.58) ATMCTSLCTSSCTSKCTRB1
SCHEMBL9707035 0.71 CTRB1 (0.58) ATMCTSLCTSSCTSKCTRB1
SCHEMBL7279121 0.71 CTSL (0.50) POLBATMCTSLCTSSCTSK

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-2310368-A1 SMALL MOLECULE LEPTIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2011-04-20 EP disclosed