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SCHEMBL30939746

SCHEMBL30939746

C#CCC(NC(=O)OCc1ccccc1)C(=O)c1cc(F)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.47
▸ TACR1 P25103 2/20 0.44
▸ CTSS P25774 5/20 0.43
▸ CTSK P43235 4/20 0.43
▸ CTSL P07711 4/20 0.43
▸ CTSB P07858 3/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ KCNA5 P22460 1/20 0.41
▸ OPRK1 P41145 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
SCHEMBL17102160 1.00 CASP3 (0.47) CASP3TACR1CTSSCTSKCTSL
SCHEMBL17102165 0.83 CASP3 (0.47) CASP3TACR1CTSSCTSKCTSL
SCHEMBL30939744 0.81 CES2 (0.44) CTSB
SCHEMBL29398507 0.79 TACR1 (0.55) TACR1CTSSCTSKCTSLCTSB
SCHEMBL6977400 0.79 TACR1 (0.55) TACR1CTSSCTSKCTSLCTSB
SCHEMBL269879 0.74 ITGB3 (0.52) TACR1CTSSCTSKCTSLCTSB
SCHEMBL31732842 0.74 ITGB3 (0.52) TACR1CTSSCTSKCTSLCTSB
SCHEMBL269878 0.74 ITGB3 (0.52) TACR1CTSSCTSKCTSLCTSB
SCHEMBL7233479 0.73 SYK (0.55) TACR1CTSSCTSKCTSLCTSB
SCHEMBL267824 0.73 TACR1 (0.46) CASP3TACR1CTSSCTSKCTSL

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-113831266-B Synthesis of alkyl 1- (2, 5-difluorophenyl) -1-oxopent-4-yn-2-ylcarbamate 河南医学高等专科学校 2024-04-05 — — CN disclosed