SCHEMBL28840979

SCHEMBL28840979

CCCCC(Oc1ccccc1OCC)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 5/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.43
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
PPARG P37231 1/20 0.41
HCRTR1 O43613 2/20 0.40
TSHR P16473 1/20 0.40
ALDH2 P05091 1/20 0.40
CA2 P00918 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9208264 0.87 KMT2A (0.47) TDP1L3MBTL1GLAPOLBPTGES
SCHEMBL9205464 0.83 L3MBTL1 (0.48) TDP1L3MBTL1GLAPOLBPPARG
SCHEMBL5695124 0.83 KDM4E (0.55) TDP1L3MBTL1POLBPTGESALOX5
SCHEMBL5695131 0.83 TSHR (0.53) TDP1L3MBTL1TSHRCA2ALDH1A1
SCHEMBL11755152 0.82 TDP1 (0.42) TDP1POLBPTGESALOX5PPARG
SCHEMBL5695176 0.81 TSHR (0.46) TDP1L3MBTL1TSHRCA2ALDH1A1
SCHEMBL5210592 0.81 TDP1 (0.54) TDP1L3MBTL1POLBPTGESALOX5
SCHEMBL9202605 0.80 PPARG (0.50) L3MBTL1GLAPOLBPPARG
SCHEMBL6035268 0.80 TSHR (0.51) TDP1L3MBTL1POLBTSHRCA2
SCHEMBL6035267 0.80 KDM4E (0.53) TDP1L3MBTL1POLBTSHRCA2

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
CN-114907345-A Piperidine-benzodiazepine compound having anti-proliferative activity 福姆通格尼克斯有限公司 2022-08-16 CN disclosed