SCHEMBL30812611

SCHEMBL30812611

CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.42
▸ PIN1 Q13526 1/20 0.40
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MDM4 O15151 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL29052325 0.88 CASP3 (0.45) CASP3PIN1CTSLCTSBCTSS
SCHEMBL31453529 0.87 CASP3 (0.45) CASP3PIN1CTSLCTSBCTSS
SCHEMBL29692865 0.87 CASP3 (0.47) CASP3PIN1CTSLCTSBCTSS
SCHEMBL31355420 0.86 CASP3 (0.49) CASP3PIN1CTSLCTSBCTSS
SCHEMBL29051485 0.86 CASP3 (0.49) CASP3PIN1CTSLCTSBCTSS
SCHEMBL3060107 0.86 CASP3 (0.46) CASP3PIN1KMT2APOLB
SCHEMBL29401235 0.86 CASP3 (0.46) CASP3PIN1KMT2APOLB
SCHEMBL30812609 0.82 PIN1 (0.42) CASP3PIN1CTSLCTSBCTSS
SCHEMBL31251126 0.80 CASP3 (0.51) CASP3PIN1CTSLCTSBCTSS
SCHEMBL29401786 0.79 CASP3 (0.52) CASP3PIN1KMT2AMDM4TP53

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
CN-117304299-A Preparation method of Tirzepatide 深圳市健元医药科技有限公司 2023-12-29 — — CN disclosed
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