SCHEMBL25871400

SCHEMBL25871400

ClCc1cc(CCl)cc(OCc2cc(COc3cc(CCl)cc(CCl)c3)cc(OC/C=C/CC/C=C/CC/C=C/COc3cc(COc4cc(CCl)cc(CCl)c4)cc(COc4cc(CCl)cc(CCl)c4)c3)c2)c1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ PRSS3 P35030 1/20 0.31
▸ PTPRC P08575 1/20 0.30
▸ PTPRF P10586 1/20 0.30
▸ PTPN1 P18031 1/20 0.30
▸ AOC3 Q16853 1/20 0.30

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
SCHEMBL16089767 1.00 PRSS1 (0.31) PRSS1PRSS2PRSS3PTPRCPTPRF
SCHEMBL16092506 0.95 PRSS1 (0.33) PRSS1PRSS2PRSS3PTPRCPTPRF
SCHEMBL20865067 0.91 GPR84 (0.30) —
SCHEMBL16089769 0.90 PRSS1 (0.31) PRSS1PRSS2PRSS3PTPRCPTPRF
SCHEMBL20865066 0.87 SLC5A2 (0.31) —
SCHEMBL17775387 0.84 — —
SCHEMBL16092516 0.80 GPBAR1 (0.40) PRSS1PRSS2PRSS3PTPRCPTPRF
SCHEMBL20865064 0.77 — —
SCHEMBL20644672 0.76 ACHE (0.39) PRSS1PRSS2PRSS3PTPRCPTPRF
SCHEMBL20644678 0.76 PRSS1 (0.35) PRSS1PRSS2PRSS3PTPRCPTPRF

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-20230235127-A1 ASSOCIATIVE POLYMERS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2023-07-27 — — US disclosed
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