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SCHEMBL4615585

SCHEMBL4615585

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.46
▸ CTSD P07339 3/20 0.33
▸ HTRA1 Q92743 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ CAPNS1 P04632 1/20 0.31
▸ CAPN1 P07384 1/20 0.31

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
SCHEMBL6026583 0.95 NR1H4 (0.47) NR1H4CTSDHTRA1ELANECAPNS1
SCHEMBL14677996 0.93 NR1H4 (0.48) NR1H4CTSDELANECAPNS1CAPN1
SCHEMBL5709135 0.92 NR1H4 (0.52) NR1H4HTRA1ELANE
SCHEMBL4666128 0.91 NR1H4 (0.52) NR1H4ELANE
SCHEMBL4619436 0.90 NR1H4 (0.50) NR1H4CTSDELANECAPNS1CAPN1
SCHEMBL4598052 0.90 NR1H4 (0.51) NR1H4CTSDELANECAPNS1CAPN1
SCHEMBL6989461 0.90 NR1H4 (0.51) NR1H4CTSDELANECAPNS1CAPN1
SCHEMBL3834784 0.89 NR1H4 (0.50) NR1H4CTSDELANECAPNS1CAPN1
SCHEMBL3833715 0.89 NR1H4 (0.45) NR1H4CTSDELANE
SCHEMBL5706907 0.88 NR1H4 (0.49) NR1H4CTSDELANECAPNS1CAPN1

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-1879860-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA Microbia Inc. (US) 2008-01-23 — — EP disclosed
WO-2006122186-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA MICROBIA, INC. (US) 2006-11-16 — — WO disclosed