SCHEMBL23400577

SCHEMBL23400577

Cc1ccccc1-c1nn(-c2ccccc2)c(O)c1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
KDM4A O75164 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
LDHA P00338 1/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
USP2 O75604 1/20 0.36
NT5E P21589 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36

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
SCHEMBL23402445 0.92 DCTPP1 (0.41) DCTPP1MAPTALDH1A1GAALMNA
SCHEMBL23400161 0.88 IDO1 (0.43) MAPTALDH1A1GAALMNATSHR
SCHEMBL23401454 0.87 MEN1 (0.41) ALDH1A1LDHAMEN1KMT2AMAPK13
SCHEMBL23399533 0.86 HSP90AA1 (0.36) MAPTALDH1A1LMNATSHRLDHA
SCHEMBL23400873 0.82 DCTPP1 (0.43) DCTPP1MAPTALDH1A1GAAKDM4A
SCHEMBL23402180 0.82 MEN1 (0.48) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL23400556 0.81 LDHA (0.37) MAPTALDH1A1LMNATSHRLDHA
SCHEMBL23401577 0.81 ESR1 (0.38) MAPTALDH1A1GAALMNATSHR
SCHEMBL23402022 0.80 LDHA (0.35) MAPTALDH1A1LMNATSHRLDHA
SCHEMBL23400718 0.80 CCNA2 (0.46) DCTPP1MAPTALDH1A1GAALMNA

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed