SCHEMBL9862062

SCHEMBL9862062

CC(C)c1c(O)ccc(CO)c1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
KLF10 Q13118 1/20 0.36
PKM P14618 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GABRB2 P47870 1/20 0.32
AKR1B1 P15121 1/20 0.32
ADRB2 P07550 2/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL3889299 0.80 GABRA1 (0.50) GABRA1GABRG2GABRB3LMNAHPGD
SCHEMBL10331780 0.73 GABRA1 (0.42) GABRA1GABRG2GABRB3KDM4ELMNA
SCHEMBL207165 0.73 KDM4E (0.41) KLF10PKMKDM4ENPC1LMNA
SCHEMBL31302207 0.72 TYR (0.40) KLF10PKMKDM4ENPC1LMNA
SCHEMBL394136 0.72 TYR (0.40) KLF10PKMKDM4ENPC1LMNA
SCHEMBL30360391 0.72 TYR (0.44) GABRA1GABRG2GABRB3KDM4ELMNA
SCHEMBL1760433 0.72 TYR (0.44) GABRA1GABRG2GABRB3KDM4ELMNA
SCHEMBL27407567 0.71 ALOX12 (0.41) GABRA1PKMKDM4EGAAHTT
SCHEMBL11214366 0.70 CYP3A4 (0.42) KLF10PKMKDM4ENPC1LMNA
SCHEMBL30274440 0.70 CYP1A2 (0.43) KLF10PKMKDM4ENPC1LMNA

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-0032062-B2 HIGH-MOLECULAR-WEIGHT NOVOLAK SUBSTITUTED PHENOLIC RESINS AND THEIR PREPARATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-10-16 EP disclosed
EP-0032062-B1 HIGH-MOLECULAR-WEIGHT NOVOLAK SUBSTITUTED PHENOLIC RESINS AND THEIR PREPARATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1985-04-03 EP disclosed
US-4345054-A High-molecular-weight novolak types substituted phenolic resins and process for preparation thereof MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1982-08-17 US disclosed
EP-0032062-A2 High-molecular-weight novolak substituted phenolic resins and their preparation MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1981-07-15 EP disclosed