SCHEMBL9862038

SCHEMBL9862038

Cc1ccc(C(C)O)c(C(C)O)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TRPA1 O75762 3/20 0.33
LMNA P02545 2/20 0.33
PTGS1 P23219 2/20 0.33
SLC6A2 P23975 2/20 0.33
HTR2B P41595 2/20 0.33
FAAH O00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GABRA1 P14867 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
HTR2C P28335 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33

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
SCHEMBL9861386 0.83 LMNA (0.33) ALDH1A1TRPA1LMNAPTGS1SLC6A2
SCHEMBL14600343 0.80 ALDH1A1 (0.39) ALDH1A1TRPA1LMNAPTGS1SLC6A2
SCHEMBL1981586 0.76 GABRA1 (0.44) ALDH1A1TRPA1LMNAPTGS1SLC6A2
SCHEMBL9862044 0.74 TRPA1 (0.38) ALDH1A1TRPA1LMNASLC6A2HTR2B
SCHEMBL44351 0.72 ALDH1A1 (0.62) ALDH1A1TRPA1LMNAPTGS1SLC6A2
SCHEMBL1494556 0.72 GABRA1 (0.56) ALDH1A1TRPA1LMNAPTGS1SLC6A2
SCHEMBL8337603 0.72 ALDH1A1 (0.43) ALDH1A1TRPA1LMNAPTGS1SLC6A2
SCHEMBL3918723 0.71 ADRB2 (0.36) TRPA1LMNAPTGS1SLC6A2HTR2B
SCHEMBL920994 0.70 ALDH1A1 (0.42) ALDH1A1TRPA1LMNAPTGS1SLC6A2
SCHEMBL2984136 0.70 ALDH1A1 (0.34) ALDH1A1LMNACA1CA2

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