SCHEMBL9861534

SCHEMBL9861534

Cc1cc(C(C)O)cc(C(C)O)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.38
GABRB2 P47870 2/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
PTGS1 P23219 2/20 0.35
PTGS2 P35354 1/20 0.35
TRPA1 O75762 1/20 0.33
CACNA1C Q13936 1/20 0.33
UGT2B7 P16662 1/20 0.32
LMNA P02545 4/20 0.31
KDM4E B2RXH2 4/20 0.31
MAPT P10636 4/20 0.31
GABRB1 P18505 3/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
RECQL P46063 4/20 0.31
TDP1 Q9NUW8 4/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL22991576 0.86 CA1 (0.50) GABRA1GABRB2CA1CA2PTGS1
SCHEMBL9812409 0.86 CA1 (0.44) GABRA1GABRB2CA1CA2PTGS1
SCHEMBL8571460 0.80 ALDH1A1 (0.46) GABRA1GABRB2CA1CA2PTGS1
SCHEMBL17281736 0.79 CA1 (0.42) GABRA1GABRB2CA1CA2PTGS1
SCHEMBL17281735 0.79 CA1 (0.42) GABRA1GABRB2CA1CA2PTGS1
SCHEMBL9812436 0.77 HSD17B10 (0.46) GABRA1GABRB2CA1CA2UGT2B7
SCHEMBL6943696 0.76 GABRA1 (0.65) GABRA1GABRB2CA1CA2PTGS1
SCHEMBL30467045 0.76 GABRA1 (0.65) GABRA1GABRB2CA1CA2PTGS1
SCHEMBL13560059 0.74 UGT2B7 (0.38) PTGS1TRPA1CACNA1CUGT2B7LMNA
SCHEMBL9614164 0.72 CA2 (0.44) GABRA1GABRB2CA1CA2PTGS1

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