SCHEMBL8409983

SCHEMBL8409983

O=CNC1(CCc2ccccc2)CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.37
LMNA P02545 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
POLB P06746 1/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH7 P40394 1/20 0.36
ADAMTS4 O75173 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
MAPT P10636 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
EPHX1 P07099 1/20 0.33
MEN1 O00255 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
SCHEMBL8410334 0.84 ALDH1A1 (0.39) SIGMAR1ADH1BADH1CADH1AADH7
SCHEMBL8407070 0.84 ADH1B (0.38) FKBP1ALMNAADH1BADH1CADH1A
SCHEMBL5071627 0.73 CYP1A2 (0.37) TAAR1ALDH1A1MEN1KMT2A
SCHEMBL8410043 0.70 OPRM1 (0.55) FKBP1ALMNASIGMAR1POLBALDH1A1
SCHEMBL8070720 0.69 ADRB2 (0.48) LMNAADH1BADH1CADH1AADH7
SCHEMBL28872341 0.69 HDAC1 (0.45) LMNAMAPTALDH1A1TSHR
SCHEMBL8059353 0.68 ADRB2 (0.50) LMNAADH1BADH1CADH1AADH7
SCHEMBL2084466 0.68 DPP4 (0.38)
SCHEMBL12346120 0.65 L3MBTL1 (0.40) SIGMAR1POLBALDH1A1TSHRMEN1
SCHEMBL2437772 0.64 ALDH1A1 (0.38) SIGMAR1ALDH1A1OPRM1OPRL1

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
US-5962469-A PREVENTION OF OXIDATION TISSUE DAMAGE BY FREE RADICALS HOECHST MARION ROUSSEL INC. (US) 1999-10-05 US disclosed