SCHEMBL9858723

SCHEMBL9858723

CCCCCCCCCCCCCCCCCCNC(=O)CCP(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.61
CASP2 P42575 1/20 0.54
NAAA Q02083 4/20 0.54
EPHX1 P07099 3/20 0.51
EPHX2 P34913 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
TP53 P04637 1/20 0.48
EGFR P00533 1/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP12 P39900 1/20 0.47
MMP14 P50281 1/20 0.47

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
SCHEMBL10836830 0.79 POLB (0.50) ALDH1A1
SCHEMBL5933901 0.78 HPGD (0.97) HPGDEPHX2
SCHEMBL13287459 0.78 HPGD (0.97) HPGDEPHX2
SCHEMBL2187602 0.76 HPGD (1.00) HPGDEPHX2
SCHEMBL7542456 0.75 NAAA (0.63) HPGDCASP2NAAAEPHX2
SCHEMBL21606283 0.74 TSHR (0.51) NAAAALDH1A1TP53
SCHEMBL28082397 0.74 TRPV1 (0.73) HPGDNAAAALDH1A1
SCHEMBL28082514 0.74 TRPV1 (0.73) HPGDNAAAALDH1A1
SCHEMBL4585546 0.74 TRPV1 (0.73) HPGDNAAAALDH1A1
SCHEMBL28082834 0.74 TRPV1 (0.73) HPGDNAAAALDH1A1

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
EP-0158518-B1 PROCESS AND ACCOMPANYING CATALYSTS FOR THE HYDROFORMYLATION OF FORMALDEHYDE TO GLYCOL ALDEHYDE Montvale Process Company Incorporated (US) 1991-07-10 EP claimed
US-4560806-A Process and catalyst useful in the production of glycol aldehyde THE HALCON SD GROUP, INC. (US) 1985-12-24 US claimed
EP-0158518-A2 Process and accompanying catalysts for the hydroformylation of formaldehyde to glycol aldehyde Montvale Process Company Incorporated (US) 1985-10-16 EP claimed
EP-0158518-A2 Process and accompanying catalysts for the hydroformylation of formaldehyde to glycol aldehyde Montvale Process Company Incorporated (US) 1985-10-16 EP disclosed