SCHEMBL10414023

SCHEMBL10414023

O=C(CCCc1ccc(O)c(O)c1)c1ccc(O)c(O)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.60
ALOX15 P16050 6/20 0.60
ACHE P22303 1/20 0.59
SGMS1 Q86VZ5 1/20 0.59
SGMS2 Q8NHU3 1/20 0.59
CYP19A1 P11511 1/20 0.53
TYR P14679 1/20 0.53
IAPP P10997 3/20 0.51
TRPV1 Q8NER1 1/20 0.51
APP P05067 1/20 0.49
LCK P06239 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX5 P09917 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
BACE1 P56817 1/20 0.48

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
SCHEMBL31556197 0.85 CA12 (0.56) KDM4EGAAMAPT
SCHEMBL31556191 0.83 L3MBTL1 (0.54) ACHESGMS1SGMS2KDM4EGAA
SCHEMBL6346995 0.80 ALOX15 (0.67) IGF1RALOX15ACHESGMS1SGMS2
SCHEMBL18788836 0.80 IGF1R (0.67) IGF1RALOX15ACHESGMS1SGMS2
SCHEMBL29381000 0.80 ALOX15 (0.67) IGF1RALOX15ACHESGMS1SGMS2
SCHEMBL11328040 0.79 CA12 (0.48) KDM4EGAAMAPT
SCHEMBL7309231 0.79 HSD17B3 (0.65) IAPPKDM4EGAAMAPT
SCHEMBL9212049 0.79 GAA (0.53) KDM4EGAAMAPT
SCHEMBL108103 0.78 KDM4E (0.62) IGF1RALOX15CYP19A1LCKKDM4E
SCHEMBL11038958 0.77 CA12 (0.47) ACHESGMS1SGMS2KDM4EGAA

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-4954659-A FOOD PRESERVATIVE CHEMEX PHARMACEUTICALS, INC. (US) 1990-09-04 US disclosed