SCHEMBL8425192

SCHEMBL8425192

CCc1ccccc1OC(=O)CCN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL15212670 0.87 L3MBTL1 (0.44) KDM4EMEN1RECQLKMT2AL3MBTL1
SCHEMBL27754492 0.87 KDM4E (0.53) KDM4EMEN1RECQLKMT2AL3MBTL1
SCHEMBL14359917 0.86 KDM4E (0.55) KDM4EMEN1RECQLKMT2AL3MBTL1
SCHEMBL3505902 0.84 KDM4E (0.67) KDM4EMEN1RECQLKMT2AL3MBTL1
SCHEMBL3551020 0.84 KDM4E (0.50) KDM4EMEN1RECQLKMT2AL3MBTL1
SCHEMBL12732387 0.84 ALDH1A1 (0.55) KDM4EMEN1RECQLKMT2AL3MBTL1
SCHEMBL1206475 0.83 L3MBTL1 (0.47) KDM4EMEN1RECQLKMT2AL3MBTL1
SCHEMBL1019194 0.83 ELANE (0.47) KDM4EMEN1RECQLKMT2AL3MBTL1
SCHEMBL9275434 0.83 KDM4E (0.60) KDM4EMEN1RECQLKMT2ATHRA
SCHEMBL27491120 0.83 KDM4E (0.49) KDM4EMEN1RECQLKMT2AL3MBTL1

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-0946588-A1 USE OF DIPEPTIDE DERIVATIVES Astra Aktiebolag (publ) (SE) 1999-10-06 EP disclosed
WO-1998028327-A1 NEW USE OF DIPEPTIDE DERIVATIVES ASTRA AKTIEBOLAG (PUBL) (SE) 1998-07-02 WO disclosed