SCHEMBL10659869

SCHEMBL10659869

CCCC(=O)c1ccc(OC(Cl)CC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 6/20 0.53
HSD17B3 P37058 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 2/20 0.43
THRB P10828 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
MMP1 P03956 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL5259133 0.84 GSK3B (0.57) NPC1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5260478 0.81 MAPT (0.52) STSL3MBTL1HPGDMAPTALDH1A1
SCHEMBL10574446 0.81 KMT2A (0.59) MAPTALDH1A1TP53HTT
SCHEMBL5010216 0.79 SMN1; SMN2 (0.56) STSHSD17B3L3MBTL1HPGDSMN1; SMN2
SCHEMBL30669210 0.78 NQO1 (0.38) SMN1; SMN2MAPTALDH1A1
SCHEMBL9482865 0.77 HPGD (0.57) L3MBTL1HPGDSMN1; SMN2MAPTHTT
SCHEMBL26254861 0.76 HSD17B3 (0.82) STSHSD17B3L3MBTL1HPGDSMN1; SMN2
SCHEMBL7312018 0.76 KMT2A (0.41) L3MBTL1HPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL705208 0.75 MAPT (0.68) STSHSD17B3L3MBTL1HPGDSMN1; SMN2
SCHEMBL28750349 0.73 MMP1 (0.65) STSHSD17B3L3MBTL1HPGDSMN1; SMN2

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
US-4791200-A ANTISECRETORY AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-12-13 US disclosed