SCHEMBL11827807

SCHEMBL11827807

CC(=O)SC(CC(=O)NC1CC1)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ SMYD3 Q9H7B4 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HTT P42858 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ RAB9A P51151 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MME P08473 3/20 0.44
▸ ACE P12821 3/20 0.44
▸ CPA1 P15085 3/20 0.44
▸ ACE2 Q9BYF1 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ EPHX1 P07099 1/20 0.42
▸ USP30 Q70CQ3 2/20 0.41
▸ FASN P49327 1/20 0.41
▸ EPHX2 P34913 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
SCHEMBL11834777 0.81 MMP12 (0.48) HTTMMEACECPA1ACE2
SCHEMBL11835616 0.79 MEN1 (0.58) KMT2AMEN1ALDH1A1SMYD3SMN1; SMN2
SCHEMBL11828803 0.79 SRR (0.43) MMEACECPA1ACE2
SCHEMBL11832270 0.78 SRR (0.46) HTTMMEACECPA1ACE2
SCHEMBL11826818 0.76 ALDH1A1 (0.43) ALDH1A1MMEACECPA1ACE2
SCHEMBL11827301 0.74 SRR (0.45) ALDH1A1MME
SCHEMBL11828575 0.74 SMYD3 (0.50) KMT2AMEN1ALDH1A1SMYD3SMN1; SMN2
SCHEMBL11827473 0.74 NAAA (0.52) KMT2AMEN1ALDH1A1HPGDCYP3A4
SCHEMBL11835980 0.74 MEN1 (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL11821169 0.73 PPARA (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2RAB9A

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-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 — — US disclosed
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