SCHEMBL9777952

SCHEMBL9777952

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ APEX1 P27695 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ PTPN1 P18031 2/20 0.51
▸ ALDH1A1 P00352 4/20 0.47
▸ HPGD P15428 2/20 0.47
▸ FFAR1 O14842 2/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ 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
SCHEMBL9778090 0.91 HSD17B10 (0.56) HSD17B10POLBAPEX1TDP1PTPN1
SCHEMBL9777995 0.86 HSD17B10 (0.55) HSD17B10POLBAPEX1TDP1PTPN1
SCHEMBL11379270 0.77 POLB (0.63) HSD17B10POLBAPEX1TDP1PTPN1
SCHEMBL10591053 0.76 RPS6KA2 (0.54) TDP1ALDH1A1HPGDKMT2AGAA
SCHEMBL13140924 0.72 MAPT (0.52) HSD17B10POLBAPEX1TDP1PTPN1
SCHEMBL12646396 0.72 PTPN1 (0.63) HSD17B10PTPN1ALDH1A1HPGDGAA
SCHEMBL14033993 0.72 MAPT (0.56) HSD17B10POLBPTPN1ALDH1A1HPGD
SCHEMBL25269997 0.71 ALDH1A1 (0.60) HSD17B10ALDH1A1HPGDKMT2AMAPT
SCHEMBL31440125 0.71 ALDH1A1 (0.60) HSD17B10ALDH1A1HPGDKMT2AMAPT
SCHEMBL2624372 0.71 GAA (0.62) HSD17B10POLBPTPN1ALDH1A1HPGD

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
Send feedback