SCHEMBL10767697

SCHEMBL10767697

CCCCc1cccc(-c2ccc(O)cc2)c1-c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.46
TYR P14679 2/20 0.45
ELANE P08246 4/20 0.43
CTSG P08311 4/20 0.43
USP7 Q93009 1/20 0.41
ESR1 P03372 4/20 0.41
ESR2 Q92731 2/20 0.41
PTGS2 P35354 2/20 0.40
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
TACR2 P21452 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
ALOX5 P09917 2/20 0.40
TP53 P04637 2/20 0.40
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL2371277 0.90 USP7 (0.47) PTPN1ELANECTSGUSP7ESR1
SCHEMBL1765205 0.85 TYR (0.49) PTPN1TYRESR1ESR2PTGS2
SCHEMBL7707048 0.85 PDCD1 (0.44) ELANECTSGBIDMCL1BCL2L1
SCHEMBL28185003 0.84 PTPN1 (0.46) PTPN1TYRUSP7ESR1ESR2
SCHEMBL28172114 0.83 ESR1 (0.55) PTPN1TYRESR1PTGS2ADRA2A
SCHEMBL28216841 0.83 ESR1 (0.55) PTPN1TYRESR1PTGS2ADRA2A
Hydrogen Sulfide SCHEMBL28757775 0.83 PDCD1 (0.43) ELANECTSGBIDMCL1BCL2L1
SCHEMBL159800 0.83 GABRA1 (0.47) USP7ESR1ESR2
Bicarbonate SCHEMBL17473019 0.83 FOLH1 (0.44) ELANECTSGKMT2ABIDMCL1
SCHEMBL10335313 0.80 APP (0.47) TYRELANECTSGALOX5BID

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
EP-0226362-A2 Thermally responsive record material APPLETON PAPERS INC. (US) 1987-06-24 EP disclosed