SCHEMBL22453099

SCHEMBL22453099

CCOC(=O)/C=C/c1ccccc1Nc1ccc(Nc2ccc(C34CC5CC(CC3C5)C4)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ EPHX2 P34913 5/20 0.37
▸ LMNA P02545 4/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ HIF1A Q16665 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL22453281 0.89 HIF1A (0.44) CNR2L3MBTL1EPHX2LMNAMAPT
SCHEMBL22452757 0.73 EPHX2 (0.49) EPHX2LMNAMAPTHIF1APGR
SCHEMBL24292257 0.70 ALDH1A1 (0.43) L3MBTL1EPHX2LMNAMAPTALDH1A1
SCHEMBL10749534 0.68 KMT2A (0.45) LMNAMAPTALDH1A1THRB
SCHEMBL10749539 0.68 KMT2A (0.45) LMNAMAPTALDH1A1THRB
SCHEMBL10783189 0.67 CA12 (0.59) L3MBTL1LMNAMAPTMDM2ALDH1A1
SCHEMBL4796094 0.67 MAPT (0.51) LMNAMAPTMDM2ALDH1A1THRB
SCHEMBL22453268 0.67 EPHX2 (0.55) EPHX2THRBRECQL
SCHEMBL8740665 0.67 MAPT (0.55) LMNAMAPTMDM2ALDH1A1THRB
SCHEMBL22815550 0.67 EPHX2 (0.40) L3MBTL1EPHX2LMNAMAPTALDH1A1

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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