SCHEMBL6618364

SCHEMBL6618364

CC(C(=O)O)c1c[nH]c2cccc(OCc3ccccc3)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.53
SRD5A2 P31213 1/20 0.45
EDNRA P25101 1/20 0.44
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
LTA4H P09960 1/20 0.42
PLA2G2A P14555 1/20 0.42
KMT2A Q03164 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
BRD4 O60885 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
SCHEMBL6619002 0.90 HTR2A (0.50) HTR2ASRD5A2EDNRATDP1ALDH1A1
SCHEMBL27472077 0.81 HTR2A (0.51) HTR2ASRD5A2EDNRAMAPTTDP1
SCHEMBL9015290 0.81 HTR2A (0.53) HTR2ASRD5A2EDNRAMAPTTDP1
SCHEMBL17520552 0.80 HTR2A (0.47) HTR2ASRD5A2EDNRAALDH1A1LTA4H
Hydrochloric Acid SCHEMBL17500278 0.79 HTR2A (0.47) HTR2ASRD5A2EDNRAMAPTMAPK1
SCHEMBL8682572 0.79 BRD4 (0.51) PTGER1PTGER4PTGER3PTGER2MAPT
SCHEMBL8323310 0.79 BRD4 (0.51) PTGER1PTGER4PTGER3PTGER2MAPT
SCHEMBL31027232 0.78 HTR2A (0.48) HTR2ASRD5A2GABRPGABRDGABRA1
SCHEMBL7390324 0.78 HTR2A (0.55) HTR2ASRD5A2EDNRAPTGER1ALDH1A1
SCHEMBL6315078 0.78 HTR2A (0.50) HTR2ASRD5A2EDNRAMAPTTDP1

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-1423363-A1 ORAL ANTIDIABETIC AGENTS Warner-Lambert Company LLC (US) 2004-06-02 EP disclosed
WO-2003018553-A1 ORAL ANTIDIABETIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2003-03-06 WO disclosed