SCHEMBL6361815

SCHEMBL6361815

Cc1ccc(C2CCCC2)c(O)c1C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 4/20 0.37
ALOX5AP P20292 3/20 0.36
CXCR5 P32302 1/20 0.36
HTR2C P28335 3/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
SLC6A3 Q01959 2/20 0.35
ALDH1A1 P00352 1/20 0.34
CEL P19835 1/20 0.34
PTPN5 P54829 2/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL20676750 0.98 FEN1 (0.39) FEN1ALOX5APCXCR5HTR2CADRA2A
SCHEMBL11709395 0.86 ALDH1A1 (0.38) FEN1ALOX5APCXCR5HTR2CADRA2A
SCHEMBL20036789 0.86 ALDH1A1 (0.41) FEN1ALOX5APHTR2CADRA2AADRA2B
SCHEMBL23854308 0.84 ADRA2A (0.41) FEN1ALOX5APHTR2CADRA2AADRA2B
SCHEMBL4963291 0.82 NUDT1 (0.41) FEN1ALOX5APCELPTPN5HDAC4
SCHEMBL466853 0.80 ALDH1A1 (0.50) FEN1ALOX5APHTR2CALDH1A1PTPN5
SCHEMBL8954630 0.78 ALDH1A1 (0.48) FEN1ALOX5APHTR2CALDH1A1PTPN5
SCHEMBL673222 0.78 ALDH1A1 (0.48) FEN1ALOX5APHTR2CALDH1A1PTPN5
SCHEMBL30218222 0.78 ALDH1A1 (0.48) FEN1ALOX5APHTR2CALDH1A1PTPN5
SCHEMBL771048 0.78 HTR2C (0.41) FEN1HTR2CADRA2AADRA2BADRA2C

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-20050197433-A1 Molecular weight modification of thermoplastic polymers CIBA SPECIALTY CHEMICALS CORP. 2005-09-08 US disclosed
US-4013473-A THERMOGRAPHY, SUBSTITUTED PHENOL REDUCING AGENT AGFA-GEVAERT N.V. (BE) 1977-03-22 US disclosed