SCHEMBL22452748

SCHEMBL22452748

CC12CC3CC(C)(C1)CC(c1ccc(NC(=O)c4ccc(Nc5ccccc5C(=O)O)cc4)cc1)(C3)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 3/20 0.49
▸ PGR P06401 1/20 0.48
▸ EPHX2 P34913 5/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SERPINE1 P05121 1/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ EPAS1 Q99814 1/20 0.41
▸ FABP4 P15090 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ PTGS1 P23219 2/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ PTGS2 P35354 1/20 0.38

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
SCHEMBL22453229 0.91 SIRT2 (0.50) SIRT2PGREPHX2MEN1KMT2A
SCHEMBL22452805 0.91 FABP4 (0.47) PGREPHX2MEN1KMT2AHIF1A
SCHEMBL22452981 0.91 SIRT2 (0.52) SIRT2PGREPHX2MEN1KMT2A
SCHEMBL22452527 0.86 SERPINE1 (0.57) SIRT2PGREPHX2MEN1KMT2A
SCHEMBL22453497 0.86 SERPINE1 (0.57) SIRT2PGREPHX2MEN1KMT2A
SCHEMBL22453566 0.82 SIRT2 (0.48) SIRT2PGREPHX2MEN1KMT2A
SCHEMBL22453564 0.82 MAPT (0.46) SIRT2PGRMEN1KMT2AHIF1A
SCHEMBL22453480 0.81 MAPT (0.52) SIRT2PGREPHX2MEN1KMT2A
SCHEMBL22453295 0.80 PGR (0.44) PGREPHX2MEN1KMT2APOLB
SCHEMBL22453626 0.79 SERPINE1 (0.65) SIRT2PGREPHX2MEN1KMT2A

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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