SCHEMBL9508380

SCHEMBL9508380

O=COCCOc1ccc(OCCOC=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
PKM P14618 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
PRSS1 P07477 2/20 0.40
PARP10 Q53GL7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNA3 P22001 1/20 0.39
PTPN1 P18031 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL11129566 0.89 MAPT (0.49) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL11129586 0.89 DRD2 (0.53) HPGDL3MBTL1DRD2DRD4DRD3
SCHEMBL10343807 0.89 L3MBTL1 (0.48) MAPTALDH1A1SMN1; SMN2L3MBTL1DRD2
SCHEMBL1231287 0.89 KCNA3 (0.56) MAPTPKMALDH1A1SMN1; SMN2PARP10
SCHEMBL20807412 0.84 SMN1; SMN2 (0.45) MAPTALDH1A1SMN1; SMN2L3MBTL1DRD2
SCHEMBL19159168 0.84 DRD2 (0.49) ALDH1A1HPGDL3MBTL1DRD2DRD4
SCHEMBL18363046 0.84 PKM (0.68) PKMALDH1A1PARP10L3MBTL1HTT
SCHEMBL9908990 0.83 KCNA3 (0.50) MAPTPKMALDH1A1LMNAPARP10
Parachlorophenol SCHEMBL10822064 0.82 KDM4E (0.46) MAPTALDH1A1SMN1; SMN2L3MBTL1DRD2
SCHEMBL14139621 0.81 HDAC1 (0.47) GAA

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
JP-5004941-A None JP disclosed
JP-H054941-A FORMIC ESTER COMPOUND ASAHI DENKA KOGYO KK 1993-01-14 JP disclosed