SCHEMBL9777967

SCHEMBL9777967

COC(=O)Cc1ccc(C(O)CN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ HPGD P15428 1/20 0.47
▸ KMT2A Q03164 3/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ TNF P01375 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ CYP4F2 P78329 1/20 0.42
▸ CYP4A11 Q02928 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ CASP3 P42574 1/20 0.41

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
SCHEMBL9778011 0.88 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTMAPK1TNF
SCHEMBL9778019 0.86 ALDH1A1 (0.46) ALDH1A1HPGDKMT2AMAPTTNF
SCHEMBL9777977 0.84 ALDH1A1 (0.49) ALDH1A1KMT2AMAPK1MEN1GAA
SCHEMBL29236575 0.82 POLB (0.57) ALDH1A1KMT2AMAPTMAPK1MEN1
SCHEMBL29236539 0.81 RPS6KA2 (0.52) ALDH1A1KMT2AMAPTMAPK1MEN1
SCHEMBL29236538 0.81 RPS6KA2 (0.52) ALDH1A1KMT2AMAPTMAPK1MEN1
SCHEMBL29236534 0.79 ALDH1A1 (0.51) ALDH1A1HPGDKMT2AMAPTMAPK1
SCHEMBL29236536 0.79 ALDH1A1 (0.51) ALDH1A1HPGDKMT2AMAPTMAPK1
SCHEMBL9773949 0.77 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTMAPK1CASP3
SCHEMBL9778072 0.76 PPARD (0.57) ALDH1A1HPGDMAPK1L3MBTL1CASP3

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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