SCHEMBL13521900

SCHEMBL13521900

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(N)cc2CS)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
CTSD P07339 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
DRD2 P14416 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
DPP4 P27487 2/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL13521904 0.88 MAPK1 (0.38) L3MBTL1ALDH1A1MAPTCYP1A2POLB
SCHEMBL1011312 0.84 PKM (0.40) L3MBTL1ABL1RIN1CTSDALDH1A1
SCHEMBL349203 0.84 CYP3A4 (0.40) L3MBTL1ABL1RIN1CTSDALDH1A1
SCHEMBL349119 0.84 CYP3A4 (0.55) L3MBTL1ABL1RIN1CTSDALDH1A1
SCHEMBL2278005 0.83 CYP1A2 (0.43) ALDH1A1CYP1A2CYP3A4CYP2C19POLB
SCHEMBL13521899 0.83 HTT (0.47) ALDH1A1MAPTPOLBLMNAHTT
SCHEMBL347866 0.83 PPARG (0.52) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL349573 0.83 CYP3A4 (0.45) L3MBTL1ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL349505 0.82 CYP3A4 (0.41) L3MBTL1ABL1RIN1CTSDALDH1A1
SCHEMBL13521859 0.82 ALDH1A1 (0.44) CTSDALDH1A1MAPTGAACYP1A2

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
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed