SCHEMBL24313157

SCHEMBL24313157

CC(C)(C)OC(=O)NCCCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.60
▸ PRSS1 P07477 1/20 0.60
▸ PRSS2 P07478 1/20 0.60
▸ PRSS3 P35030 1/20 0.60
▸ TPSAB1 Q15661 1/20 0.60
▸ TDP1 Q9NUW8 3/20 0.58
▸ FOLH1 Q04609 2/20 0.57
▸ PKM P14618 2/20 0.55
▸ PLCD1 P51178 1/20 0.55
▸ CNR1 P21554 3/20 0.51
▸ HSP90AB1 P08238 1/20 0.51
▸ ITGB1 P05556 1/20 0.51
▸ ITGA4 P13612 1/20 0.51
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CAPN1 P07384 2/20 0.49
▸ CNR2 P34972 1/20 0.49

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
SCHEMBL13041591 0.98 F2 (0.60) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL15258705 0.98 F2 (0.60) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL10689008 0.96 TDP1 (0.58) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL10277136 0.95 TDP1 (0.64) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL7936987 0.95 TDP1 (0.64) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL13049575 0.95 TDP1 (0.64) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL26490546 0.95 TDP1 (0.64) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL4904852 0.95 TDP1 (0.64) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL15482071 0.95 TDP1 (0.64) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19679441 0.94 F2 (0.65) 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
EP-3981772-A1 TETRA-FUNCTIONAL CHEMICAL PROBE AND METHOD FOR IDENTIFYING TARGET MEMBRANE PROTEIN FROM LIVING CELL OR LIVING TISSUE BY USING SAID PROBE Otsuka Pharmaceutical Co., Ltd. (JP) 2022-04-13 — — EP disclosed
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