SCHEMBL31355420

SCHEMBL31355420

CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.49
▸ MDM4 O15151 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PIN1 Q13526 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL29051485 1.00 CASP3 (0.49) CASP3MDM4TP53CTSLCTSB
SCHEMBL29052325 0.90 CASP3 (0.45) CASP3MDM4TP53CTSLCTSB
SCHEMBL31453529 0.89 CASP3 (0.45) CASP3MDM4TP53CTSLCTSB
SCHEMBL29858341 0.86 CASP3 (0.45) CASP3MDM4TP53PIN1
SCHEMBL32669193 0.86 CASP3 (0.52) CASP3MDM4TP53KMT2A
SCHEMBL24580508 0.86 CASP3 (0.41) CASP3MDM4TP53CTSLCTSB
SCHEMBL29697630 0.86 CASP3 (0.41) CASP3MDM4TP53CTSLCTSB
SCHEMBL30812611 0.86 CASP3 (0.42) CASP3MDM4TP53CTSLCTSB
SCHEMBL30582698 0.85 CASP3 (0.54) CASP3MDM4TP53CTSLCTSB
SCHEMBL31251126 0.85 CASP3 (0.51) CASP3CTSLCTSBCTSSPIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119350432-B Preparation method of N- (N- (9-fluorenylmethoxycarbonyl) -L-isoleucyl) -2-aminoisobutyric acid 安徽昊帆生物有限公司 2025-04-25 — — CN claimed
CN-119350432-A Preparation method of N- (N- (9-fluorenylmethoxycarbonyl) -L-isoleucyl) -2-aminoisobutyric acid 安徽昊帆生物有限公司 2025-01-24 — — CN claimed
CN-119350432-B Preparation method of N- (N- (9-fluorenylmethoxycarbonyl) -L-isoleucyl) -2-aminoisobutyric acid 安徽昊帆生物有限公司 2025-04-25 — — CN disclosed
CN-119350432-B Preparation method of N- (N- (9-fluorenylmethoxycarbonyl) -L-isoleucyl) -2-aminoisobutyric acid 安徽昊帆生物有限公司 2025-04-25 — — CN disclosed
CN-119350432-B Preparation method of N- (N- (9-fluorenylmethoxycarbonyl) -L-isoleucyl) -2-aminoisobutyric acid 安徽昊帆生物有限公司 2025-04-25 — — CN disclosed
CN-119350432-A Preparation method of N- (N- (9-fluorenylmethoxycarbonyl) -L-isoleucyl) -2-aminoisobutyric acid 安徽昊帆生物有限公司 2025-01-24 — — CN disclosed
CN-119350432-A Preparation method of N- (N- (9-fluorenylmethoxycarbonyl) -L-isoleucyl) -2-aminoisobutyric acid 安徽昊帆生物有限公司 2025-01-24 — — CN disclosed
CN-119350432-A Preparation method of N- (N- (9-fluorenylmethoxycarbonyl) -L-isoleucyl) -2-aminoisobutyric acid 安徽昊帆生物有限公司 2025-01-24 — — CN disclosed
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