SCHEMBL20644672

SCHEMBL20644672

Oc1cc(COc2cc(CCl)cc(CCl)c2)cc(COc2cc(CCl)cc(CCl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ GPBAR1 Q8TDU6 1/20 0.39
▸ PTPRC P08575 1/20 0.38
▸ PTPRF P10586 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CYP1A1 P04798 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ F2 P00734 1/20 0.36
▸ PTGS2 P35354 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL21555511 0.89 PARP10 (0.42) PRSS1PRSS2PRSS3GPBAR1CYP1A2
SCHEMBL20644678 0.83 PRSS1 (0.35) PRSS1PRSS2PRSS3PTPRCPTPRF
SCHEMBL14456158 0.82 ACHE (0.46) ACHEPRSS1PRSS2PRSS3GPBAR1
SCHEMBL14456123 0.82 ACHE (0.46) ACHEPRSS1PRSS2PRSS3GPBAR1
SCHEMBL7684912 0.82 ACHE (0.55) ACHEPTGS2ALDH1A1
SCHEMBL20644684 0.82 ENPP2 (0.42) ALDH1A1APPMAOB
SCHEMBL16092506 0.80 PRSS1 (0.33) PRSS1PRSS2PRSS3PTPRCPTPRF
SCHEMBL14456160 0.80 ACHE (0.48) ACHEPRSS1PRSS2PRSS3PTPRC
SCHEMBL13498542 0.79 ACHE (0.62) ACHEPRSS1PRSS2PRSS3GPBAR1
SCHEMBL20990582 0.79 ACHE (0.62) ACHEPRSS1PRSS2PRSS3GPBAR1

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
US-20220145012-A1 ASSOCIATIVE POLYMERS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-05-12 — — US disclosed
US-20190016859-A1 ASSOCIATIVE POLYMERS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NASA 2019-01-17 — — US disclosed
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