SCHEMBL9370549

SCHEMBL9370549

CCOC(=O)C1Cc2c(F)ccc(O)c2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.38
MAOA P21397 1/20 0.36
CYP1A2 P05177 1/20 0.34
HTR1A P08908 1/20 0.34
CYP2D6 P10635 1/20 0.34
DRD2 P14416 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL23856959 0.77 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL9464622 0.76 MAPT (0.57) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL30334623 0.75 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL9370934 0.75 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL29203096 0.75 ALDH1A1 (0.33) ALDH1A1KMT2A
SCHEMBL6382115 0.73 ACHE (0.54) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL9373350 0.72 L3MBTL1 (0.33) ALDH1A1KMT2ALMNAMAOACYP1A2
SCHEMBL23857269 0.72 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL30047239 0.72 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL29203109 0.70 KDM4E (0.57) ALDH1A1MAPTKDM4EMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0425946-B1 Iso- and heterocyclic phenylsulphonamides BAYER AG (DE) 1994-08-17 EP disclosed
US-5264458-A Antithrombotic iso- and heterocyclic phenylsulphonamides BAYER AKTIENGESELLSCHAFT (DE) 1993-11-23 US disclosed
US-5191092-A ANTITHROMBOTIC ISO- AND HETEROCYCLIC PHENYLSULPHONAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1993-03-02 US disclosed
EP-0425946-A2 Iso- and heterocyclic phenylsulphonamides BAYER AG (DE) 1991-05-08 EP disclosed