SCHEMBL9849152

SCHEMBL9849152

CCOC(=O)C(Cc1ccccc1Br)(NC(C)=O)C(=O)OCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.67
RECQL P46063 1/20 0.67
MAPK1 P28482 1/20 0.52
PKM P14618 3/20 0.51
KDM4E B2RXH2 1/20 0.51
ATM Q13315 2/20 0.50
THRB P10828 2/20 0.50
HTT P42858 2/20 0.49
MAPT P10636 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TAAR1 Q96RJ0 3/20 0.45
LMNA P02545 2/20 0.45
MMP8 P22894 1/20 0.43
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.42
APP P05067 1/20 0.41
PIN1 Q13526 1/20 0.41

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
SCHEMBL9849156 0.86 ALDH1A1 (0.55) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL10624673 0.85 ALDH1A1 (0.65) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL16001113 0.84 ALDH1A1 (0.67) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL5860010 0.84 ALDH1A1 (0.67) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL1686141 0.84 ALDH1A1 (0.67) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL23004849 0.84 ALDH1A1 (0.67) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL4705070 0.84 ALDH1A1 (0.67) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL10770311 0.83 ALDH1A1 (0.62) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL27394284 0.82 ALDH1A1 (0.64) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL4063597 0.81 ALDH1A1 (0.62) ALDH1A1RECQLMAPK1PKMKDM4E

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-0421436-A2 Substituted carboxytetrahydroisoquinolines and derivatives thereof having pharmaceutical activity WARNER-LAMBERT COMPANY (US) 1991-04-10 EP disclosed