SCHEMBL8636841

SCHEMBL8636841

CCCCCCCc1c(O)c(CCCCCCC)c(CCCCCCC)c(CCCCCCC)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.52
TYR P14679 1/20 0.47
PTGS2 P35354 4/20 0.45
ESR1 P03372 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
TACR2 P21452 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
CYP3A4 P08684 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
SHBG P04278 1/20 0.45
TP53 P04637 1/20 0.45
HSPD1 P10809 1/20 0.45
ADRB3 P13945 1/20 0.45
HTR2C P28335 1/20 0.45
HSPE1 P61604 1/20 0.45

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
SCHEMBL27957033 1.00 ALOX5 (0.52) ALOX5TYRPTGS2ESR1ADRA2A
SCHEMBL27956891 1.00 ALOX5 (0.52) ALOX5TYRPTGS2ESR1ADRA2A
SCHEMBL4502758 0.97 ALOX5 (0.48) ALOX5TYRPTGS2ESR1ADRA2A
SCHEMBL177801 0.97 ALOX5 (0.48) ALOX5TYRPTGS2ESR1ADRA2A
SCHEMBL270762 0.97 ALOX5 (0.48) ALOX5TYRPTGS2ESR1ADRA2A
SCHEMBL26668828 0.97 ALOX5 (0.48) ALOX5TYRPTGS2ESR1ADRA2A
SCHEMBL6514633 0.95 ALOX5 (0.47) ALOX5TYRPTGS2ESR1ADRA2A
SCHEMBL1568703 0.95 ALOX5 (0.47) ALOX5TYRPTGS2ESR1ADRA2A
SCHEMBL5587589 0.92 ALOX5 (0.48) ALOX5TYRPTGS2ESR1ADRA2A
SCHEMBL5589956 0.92 ALOX5 (0.48) ALOX5TYRPTGS2ESR1ADRA2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10298160-A None JP disclosed
CN-103739464-B A kind of production method of four formylated Resorcinol cups [4] YANGZHOU UNIVERSITY (CN) 2016-04-20 CN disclosed
CN-103739464-A Method for producing tetra-formylated resorcinol calix [4] UNIV YANGZHOU 2014-04-23 CN disclosed
JP-H10298160-A RESORCINOL TETRAMER DERIVATIVE AND ELECTROPHOTOGRAPHIC TONER CONTAINING THE SAME NIPPON KAYAKU CO LTD 1998-11-10 JP disclosed