SCHEMBL22453229

SCHEMBL22453229

CC12CC3CC(c4ccc(NC(=O)c5ccc(Nc6ccccc6C(=O)O)cc5)cc4)(C1)CC2(C)C3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 4/20 0.50
▸ PGR P06401 1/20 0.47
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ SERPINE1 P05121 1/20 0.43
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ SIRT5 Q9NXA8 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ EPAS1 Q99814 1/20 0.42
▸ FABP4 P15090 1/20 0.41
▸ DHODH Q02127 1/20 0.41
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ AKR1C3 P42330 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
SCHEMBL22452748 0.91 SIRT2 (0.49) SIRT2PGRMEN1KMT2ASERPINE1
SCHEMBL22453564 0.90 MAPT (0.46) SIRT2PGRMEN1KMT2AHIF1A
SCHEMBL22452527 0.86 SERPINE1 (0.57) SIRT2PGRMEN1KMT2ASERPINE1
SCHEMBL22453497 0.86 SERPINE1 (0.57) SIRT2PGRMEN1KMT2ASERPINE1
SCHEMBL22452981 0.82 SIRT2 (0.52) SIRT2PGRMEN1KMT2ASERPINE1
SCHEMBL22452805 0.81 FABP4 (0.47) PGRMEN1KMT2AHIF1AEPAS1
SCHEMBL22453626 0.80 SERPINE1 (0.65) SIRT2PGRMEN1KMT2ASERPINE1
SCHEMBL22453671 0.80 PGR (0.43) PGRMEN1KMT2ASERPINE1HIF1A
SCHEMBL22452488 0.79 SERPINE1 (0.64) SIRT2PGRMEN1KMT2ASERPINE1
SCHEMBL22452577 0.78 HIF1A (0.51) SIRT2PGRSERPINE1HIF1AEPAS1

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
WO-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 — — WO disclosed
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