SCHEMBL9778019

SCHEMBL9778019

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MAPT P10636 1/20 0.43
▸ TNF P01375 1/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ CASP3 P42574 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL10593868 0.89 CA12 (0.44) ALDH1A1HPGDMAPTTNFKMT2A
SCHEMBL9778058 0.88 ALDH1A1 (0.43) ALDH1A1MAPTTNFPDE4APDE4B
SCHEMBL9778045 0.87 SLC7A5 (0.43) ALDH1A1HPGDMAPTTNFPDE4A
SCHEMBL9777967 0.86 ALDH1A1 (0.47) ALDH1A1HPGDMAPTTNFPDE4A
SCHEMBL10594053 0.81 CASP3 (0.43) ALDH1A1KMT2AMEN1L3MBTL1CASP3
SCHEMBL9778090 0.75 HSD17B10 (0.56) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL10591053 0.75 RPS6KA2 (0.54) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL9778011 0.74 ALDH1A1 (0.44) ALDH1A1MAPTTNFPDE4APDE4B
SCHEMBL9880857 0.72 RPS6KA2 (0.50) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL7256203 0.72 ALDH1A1 (0.50) ALDH1A1MAPTTNFPDE4APDE4B

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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