SCHEMBL18619648

SCHEMBL18619648

CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC[C@H]1C(O)O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 4/20 0.55
▸ LMNA P02545 1/20 0.45
▸ ELANE P08246 3/20 0.45
▸ CTSG P08311 1/20 0.43
▸ FAP Q12884 2/20 0.43
▸ CCR1 P32246 5/20 0.43
▸ DPP8 Q6V1X1 2/20 0.43
▸ DPP9 Q86TI2 2/20 0.43
▸ DPP4 P27487 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41

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
SCHEMBL18619652 0.88 PREP (0.53) PREPLMNAELANECTSGFAP
SCHEMBL18619650 0.84 PREP (0.55) PREPELANECTSG
SCHEMBL20485166 0.84 PREP (0.55) PREPELANECTSG
SCHEMBL18621027 0.83 PREP (0.53) PREPLMNAELANECTSGTAAR1
SCHEMBL22209481 0.83 PREP (0.53) PREPLMNAELANECTSGTAAR1
SCHEMBL18619576 0.77 PREP (0.42) PREPELANECTSGCCR1DPP8
SCHEMBL13951053 0.75 ELANE (0.51) PREPELANECTSGTAAR1
SCHEMBL13928253 0.75 ELANE (0.51) PREPELANECTSGTAAR1
SCHEMBL22798449 0.75 ELANE (0.55) PREPELANECTSG
SCHEMBL18586542 0.75 ELANE (0.55) PREPELANECTSG

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-2017040304-A1 MALT1 INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2017-03-09 — — WO disclosed
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