SCHEMBL10748540

SCHEMBL10748540

OCC(CO)Oc1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.48
JAK2 O60674 1/20 0.48
CA2 P00918 2/20 0.46
TP53 P04637 2/20 0.46
CA1 P00915 1/20 0.46
TSHR P16473 1/20 0.46
APP P05067 1/20 0.39
HPGD P15428 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 1/20 0.38
CA12 O43570 1/20 0.38
GMNN O75496 1/20 0.38
EGFR P00533 1/20 0.38
FYN P06241 1/20 0.38

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
SCHEMBL7559302 0.83 TSHR (0.52) LMNAMAPTGAAJAK2CA2
SCHEMBL6703137 0.79 TSHR (0.48) LMNAMAPTGAAJAK2CA2
SCHEMBL7596823 0.77 TSHR (0.50) LMNAMAPTGAAJAK2CA2
SCHEMBL28672418 0.77 HTR1A (0.45) LMNAGAATSHRHPGDKDM4E
SCHEMBL21618301 0.77 CYP1A2 (0.55) LMNACA2TP53CA1TSHR
SCHEMBL29941669 0.77 CYP1A2 (0.55) LMNACA2TP53CA1TSHR
SCHEMBL21618254 0.77 ADRA2A (0.45) LMNAMAPTGAATP53HPGD
SCHEMBL1833212 0.75 CA1 (0.48) LMNAMAPTGAAJAK2CA2
SCHEMBL27752147 0.75 TSHR (0.44) LMNAMAPTGAAJAK2CA2
SCHEMBL4537436 0.75 GAA (0.67) LMNAMAPTGAAJAK2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0044260-B1 PROCESS FOR THE PREPARATION OF POLYPHENOLS OPTIONALLY SUBSTITUTED BY AN ALDEHYDE GROUP RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-04-11 EP claimed
US-4435601-A OXIDATION WITH HYDROGEN PEROXIDE IN ALKALI OR ALKALINE METAL BASE RHONE-POULENC INDUSTRIES (FR) 1984-03-06 US claimed
EP-0044260-A2 Process for the preparation of polyphenols optionally substituted by an aldehyde group RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-01-20 EP claimed
CN-1968672-A cosmetic spray UNILEVER PLC (NL) 2007-05-23 CN disclosed
US-4683087-A 2,2-ETHYLENE BIS(6-BROMOMETHYL-P-BENZOQUINONE THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1987-07-28 US disclosed
EP-0044260-B1 PROCESS FOR THE PREPARATION OF POLYPHENOLS OPTIONALLY SUBSTITUTED BY AN ALDEHYDE GROUP RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-04-11 EP disclosed
US-4435601-A OXIDATION WITH HYDROGEN PEROXIDE IN ALKALI OR ALKALINE METAL BASE RHONE-POULENC INDUSTRIES (FR) 1984-03-06 US disclosed
EP-0044260-A2 Process for the preparation of polyphenols optionally substituted by an aldehyde group RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-01-20 EP disclosed