SCHEMBL9618015

SCHEMBL9618015

CCCCCOC[C@@H](O)COCc1ccc(OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CASR P41180 2/20 0.58
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
USP2 O75604 1/20 0.47
HTT P42858 1/20 0.46
TBXAS1 P24557 7/20 0.45
LPAR5 Q9H1C0 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
PLA2G4B P0C869 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL3758628 0.99 CA1 (0.61) CA1CA2CASRTDP1L3MBTL1
SCHEMBL17230523 0.85 L3MBTL1 (0.64) CA1CA2CASRTDP1L3MBTL1
SCHEMBL7171686 0.84 PLA2G4B (0.60) CASRTDP1USP2HTTLPAR5
SCHEMBL9662126 0.84 CA1 (0.57) CA1CA2CASRUSP2HTT
SCHEMBL17683697 0.84 CASR (0.62) CA1CA2CASRUSP2HTT
SCHEMBL16614396 0.83 L3MBTL1 (0.67) CA1CA2TDP1L3MBTL1PLA2G4B
SCHEMBL9662634 0.82 CA1 (0.55) CA1CA2USP2HTTLPAR5
SCHEMBL9662170 0.82 CA1 (0.55) CA1CA2USP2HTTLPAR5
SCHEMBL13058722 0.82 CA1 (0.55) CA1CA2USP2HTTLPAR5
SCHEMBL9662121 0.82 CA1 (0.55) CA1CA2USP2HTTLPAR5

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-4283539-A None JP disclosed
JP-H04283539-A PRODUCTION OF OPTICALLY ACTIVE GLYCEROL ESTER NIPPON OIL & FATS CO LTD 1992-10-08 JP disclosed