SCHEMBL25390886

SCHEMBL25390886

Oc1ccc2cc3c4cc5c(O)c(O)ccc5cc4c4cc5c(O)c(O)ccc5cc4c3cc2c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.52
LCK P06239 5/20 0.44
CDC42 P60953 4/20 0.42
RAC1 P63000 4/20 0.42
ACHE P22303 2/20 0.38
ST14 Q9Y5Y6 1/20 0.37
EGFR P00533 2/20 0.37
TRPM4 Q8TD43 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PRKD3 O94806 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
PRKCG P05129 1/20 0.35
CYP1A2 P05177 1/20 0.35
PRKCB P05771 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 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
SCHEMBL30662390 1.00 PTPN22 (0.52) PTPN22LCKCDC42RAC1ACHE
SCHEMBL18068463 0.95 PTPN22 (0.56) PTPN22LCKCDC42RAC1ACHE
SCHEMBL2114515 0.92 PTPN22 (0.50) PTPN22LCKCDC42RAC1ACHE
SCHEMBL15257812 0.92 PTPN22 (0.54) PTPN22LCKCDC42RAC1ACHE
SCHEMBL7793886 0.84 CDC42 (0.55) PTPN22LCKCDC42RAC1ACHE
SCHEMBL29447273 0.83 PTPN22 (0.64) PTPN22LCKEGFRTRPM4KDM4E
SCHEMBL25429187 0.83 PTPN22 (0.64) PTPN22LCKEGFRTRPM4KDM4E
SCHEMBL82870 0.83 PTPN22 (0.64) PTPN22LCKEGFRTRPM4KDM4E
SCHEMBL9430385 0.81 PTPN22 (0.61) PTPN22LCKEGFRTRPM4KDM4E
SCHEMBL28752695 0.81 PTPN22 (0.61) PTPN22LCKEGFRTRPM4KDM4E

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-20230341344-A1 CHEMIRESISTIVE SENSOR MODULE AND WIRELESS ELECTRONIC DEVICE AND IoT SYSTEM IUCF HYU (KR) 2023-10-26 US disclosed
US-20230288361-A1 CHEMIRESISTOR AND METHOD OF MANUFACTURING THE SAME AND CHEMIRESISTIVE SENSOR AND DEVICE IUCF-HYU (INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY) (KR) 2023-09-14 US disclosed