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SCHEMBL5387987

SCHEMBL5387987

CCCCC1(CCCC)C(=O)Sc2cc(OCCC(=O)N[C@@H](C(=O)NCCCC(=O)O)c3ccccc3)c(SC)cc2N(c2ccccc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ CYP2C19 P33261 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
SCHEMBL3836167 0.91 NR1H4 (0.45) NR1H4ALDH1A1KDM4ECYP2C19
SCHEMBL4598602 0.91 NR1H4 (0.49) NR1H4ALDH1A1KDM4EKMT2A
SCHEMBL4837251 0.90 NR1H4 (0.41) NR1H4
SCHEMBL5721660 0.89 NR1H4 (0.45) NR1H4ALDH1A1KDM4ECYP2C19
SCHEMBL3835998 0.87 NR1H4 (0.51) NR1H4ALDH1A1KDM4EKMT2ACYP2C19
SCHEMBL4659695 0.87 NR1H4 (0.41) NR1H4
SCHEMBL3833715 0.87 NR1H4 (0.45) NR1H4ALDH1A1KDM4ECYP2C19
SCHEMBL3833863 0.85 NR1H4 (0.43) NR1H4ALDH1A1KDM4E
SCHEMBL3835251 0.84 NR1H4 (0.44) NR1H4ALDH1A1KDM4E
SCHEMBL6256758 0.83 NR1H4 (0.50) NR1H4KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1851197-A2 PHENYLAZETIDINONE DERIVATIVES Microbia, Inc. (US) 2007-11-07 — — EP disclosed
WO-2006086562-A2 PHENYLAZETIDINONE DERIVATIVES MICROBIA, INC. (US) 2006-08-17 — — WO disclosed