SCHEMBL9778090

SCHEMBL9778090

CCOC(=O)COc1ccc(C(CN2C(=O)c3ccccc3C2=O)OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.56
▸ POLB P06746 2/20 0.56
▸ APEX1 P27695 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ PTPN1 P18031 2/20 0.51
▸ ALDH1A1 P00352 5/20 0.47
▸ HPGD P15428 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ PIN1 Q13526 1/20 0.42
▸ PIN4 Q9Y237 1/20 0.42
▸ MAPK1 P28482 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
SCHEMBL9777952 0.91 HSD17B10 (0.53) HSD17B10POLBAPEX1TDP1PTPN1
SCHEMBL9777995 0.86 HSD17B10 (0.55) HSD17B10POLBAPEX1TDP1PTPN1
SCHEMBL10591053 0.86 RPS6KA2 (0.54) TDP1ALDH1A1HPGDKMT2ANPSR1
SCHEMBL11379270 0.77 POLB (0.63) HSD17B10POLBAPEX1TDP1PTPN1
SCHEMBL9778019 0.75 ALDH1A1 (0.46) POLBALDH1A1HPGDKMT2AGAA
SCHEMBL10593868 0.74 CA12 (0.44) ALDH1A1HPGDKMT2AGAAMAPT
SCHEMBL9778058 0.74 ALDH1A1 (0.43) PTPN1ALDH1A1MAPT
SCHEMBL10594053 0.73 CASP3 (0.43) TDP1ALDH1A1KMT2AMEN1MAPK1
SCHEMBL12742268 0.73 GAA (0.57) HSD17B10POLBTDP1PTPN1ALDH1A1
SCHEMBL13140924 0.72 MAPT (0.52) HSD17B10POLBAPEX1TDP1PTPN1

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-4999345-A Anticoagulants BASF AKTIENGESELLSCHAFT (DE) 1991-03-12 — — US disclosed
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