SCHEMBL22769222

SCHEMBL22769222

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

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.61
▸ FOLH1 Q04609 7/20 0.54
▸ F2 P00734 1/20 0.52
▸ PRSS1 P07477 1/20 0.52
▸ PRSS2 P07478 1/20 0.52
▸ PRSS3 P35030 1/20 0.52
▸ TPSAB1 Q15661 1/20 0.52
▸ PKM P14618 2/20 0.49
▸ HSP90AB1 P08238 1/20 0.48
▸ CAPN1 P07384 2/20 0.48
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ PLCD1 P51178 1/20 0.46

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
SCHEMBL22768971 0.92 TDP1 (0.64) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL17244679 0.91 TDP1 (0.63) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL18133288 0.86 TDP1 (0.69) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL13041591 0.85 F2 (0.60) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL15258705 0.85 F2 (0.60) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL24313157 0.84 F2 (0.60) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL22769242 0.84 TDP1 (0.54) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL10689008 0.84 TDP1 (0.58) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL21524563 0.83 TDP1 (0.65) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL21524559 0.83 TDP1 (0.65) TDP1FOLH1F2PRSS1PRSS2

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 2 patents. 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
WO-2020246602-A1 TETRA-FUNCTIONAL CHEMICAL PROBE AND METHOD FOR IDENTIFYING TARGET MEMBRANE PROTEIN FROM LIVING CELL OR LIVING TISSUE BY USING SAID PROBE 大塚製薬株式会社 2020-12-10 — — WO disclosed
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