SCHEMBL24628711

SCHEMBL24628711

C=CCOC(=O)N1CCC(Oc2ccc(COc3cc(C=O)c4c(c3)CCN(C(=O)OC(C)(C)C)C4)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.47
▸ PLG P00747 2/20 0.47
▸ F2 P00734 1/20 0.47
▸ PRSS1 P07477 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ YAP1 P46937 3/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ GPR119 Q8TDV5 7/20 0.41
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ CHEK2 O96017 1/20 0.37
▸ ESR2 Q92731 1/20 0.36
▸ NR1H2 P55055 1/20 0.36

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
SCHEMBL26657561 0.88 F10 (0.50) F10PLGF2PRSS1PRSS2
SCHEMBL24629039 0.86 F10 (0.48) F10PLGF2PRSS1PRSS2
SCHEMBL6672245 0.80 F10 (0.57) F10PLGF2PRSS1PRSS2
SCHEMBL24628738 0.78 GPR119 (0.41) YAP1HRH3GPR119PRMT5WDR77
SCHEMBL30670191 0.78 GPR119 (0.41) YAP1HRH3GPR119PRMT5WDR77
SCHEMBL24628709 0.77 F10 (0.43) F10PLGF2PRSS1PRSS2
SCHEMBL24628769 0.77 ESR2 (0.44) F10PLGF2PRSS1PRSS2
SCHEMBL30670212 0.76 F10 (0.41) F10PLGF2PRSS1PRSS2
SCHEMBL26657625 0.76 F10 (0.41) F10PLGF2PRSS1PRSS2
SCHEMBL26657492 0.74 F10 (0.45) F10PLGF2PRSS1PRSS2

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
WO-2022149617-A1 COMPOUND LIBRARY 中外製薬株式会社 2022-07-14 — — WO disclosed
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