SCHEMBL24202345

SCHEMBL24202345

CCOP(=O)(F)CCCCCCCCCC(=O)NCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.87
▸ PRSS1 P07477 1/20 0.87
▸ PRSS2 P07478 1/20 0.87
▸ PRSS3 P35030 1/20 0.87
▸ TPSAB1 Q15661 1/20 0.87
▸ PLCD1 P51178 1/20 0.59
▸ TDP1 Q9NUW8 5/20 0.59
▸ CNR1 P21554 3/20 0.52
▸ ITGB1 P05556 1/20 0.51
▸ ITGA4 P13612 1/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CNR2 P34972 2/20 0.51
▸ FOLH1 Q04609 2/20 0.50
▸ CAPN1 P07384 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ABL1 P00519 1/20 0.50
▸ LMNA P02545 1/20 0.50

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
SCHEMBL13743155 1.00 F2 (0.87) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19705583 0.86 PLCD1 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18779801 0.84 TDP1 (0.78) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24590149 0.84 F2 (0.66) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL20006677 0.84 TDP1 (0.71) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL22493325 0.84 HLCS (0.71) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL15870672 0.84 HLCS (0.71) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL2632289 0.84 TDP1 (0.71) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL17881931 0.84 TDP1 (0.71) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL12320610 0.84 HLCS (0.71) F2PRSS1PRSS2PRSS3TPSAB1

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
US-20220018849-A1 SERINE HYDROLASE PROFILING ASSAY IN BIOTHERAPEUTICS MERCK SHARP & DOHME LLC 2022-01-20 — — US disclosed
Send feedback