SCHEMBL9862042

SCHEMBL9862042

CC(O)c1cccc(C(C)O)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 0.67
GABRB1 P18505 5/20 0.67
GABRB2 P47870 4/20 0.67
CA1 P00915 3/20 0.67
CA2 P00918 3/20 0.67
GABRG2 P18507 2/20 0.67
GABRB3 P28472 2/20 0.67
TSHR P16473 2/20 0.67
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 2/20 0.67
LMNA P02545 2/20 0.67
HPGD P15428 2/20 0.67
FAAH O00519 1/20 0.67
PTGS1 P23219 1/20 0.67
SLC6A2 P23975 1/20 0.67
HTR2C P28335 1/20 0.67
GABRA5 P31644 1/20 0.67
GABRA3 P34903 1/20 0.67
HTR2B P41595 1/20 0.67
GABRA2 P47869 1/20 0.67

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
SCHEMBL1421008 0.87 HPGD (0.52) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL31618862 0.87 HPGD (0.52) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL3988512 0.84 GABRA1 (0.48) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL14895142 0.84 TSHR (0.48) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL21874461 0.84 GABRA1 (0.48) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL21227039 0.80 CA2 (0.61) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL10815297 0.80 KDM4E (0.57) GABRA1GABRB1GABRB2CA1CA2
Propofol SCHEMBL36245 0.80 GABRA1 (1.00) GABRA1GABRB1GABRB2CA1CA2
Propofol SCHEMBL2414429 0.80 GABRA1 (1.00) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL5101318 0.79 GABRA1 (0.50) GABRA1GABRB1GABRB2CA1CA2

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 7 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-0117759-B1 POLYNUCLEAR POLYHYDRIC PHENOLS AND PROCESS FOR PREPARATION THEREOF MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1987-09-30 EP disclosed
US-4614826-A CURABLE TO EPOXY RESINS; HEAT RESISTANCE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1986-09-30 US disclosed
EP-0032062-B1 HIGH-MOLECULAR-WEIGHT NOVOLAK SUBSTITUTED PHENOLIC RESINS AND THEIR PREPARATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1985-04-03 EP disclosed
EP-0117759-A1 Polynuclear polyhydric phenols and process for preparation thereof MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1984-09-05 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