SCHEMBL22452496

SCHEMBL22452496

CC12CC3CC(C)(C1)CC(c1ccc(Nc4ccc(Nc5cccc(C(=O)O)n5)cc4)cc1)(C3)C2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NPC1 O15118 2/20 0.35
▸ PGR P06401 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ACMSD Q8TDX5 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALPG P10696 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL22453295 0.91 PGR (0.44) EPHX2KDM4ELMNANPC1PGR
SCHEMBL22453333 0.86 CYP1A2 (0.43) EPHX2KDM4ENPC1TDP1ALOX15
SCHEMBL22453671 0.82 PGR (0.43) KDM4ELMNANPC1PGRTDP1
SCHEMBL22452799 0.78 EPHX2 (0.53) EPHX2KDM4ELMNANPC1PGR
SCHEMBL22453446 0.78 NPC1 (0.44) EPHX2KDM4ELMNANPC1PGR
SCHEMBL22452805 0.77 FABP4 (0.47) EPHX2LMNAPGRTDP1ALOX15
SCHEMBL22452808 0.76 CYP2C9 (0.48) EPHX2KDM4ELMNANPC1PGR
SCHEMBL22452982 0.76 CYP2C9 (0.48) EPHX2KDM4ELMNANPC1PGR
SCHEMBL22453506 0.72 LMNA (0.47) EPHX2LMNANPC1PGRMAPT
SCHEMBL22453686 0.71 NPC1 (0.67) EPHX2LMNANPC1PGRPOLB

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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