SCHEMBL9862044

SCHEMBL9862044

Cc1c(O)ccc(C(C)O)c1C(C)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.38
LMNA P02545 3/20 0.38
ADRA1A P35348 2/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2B P41595 1/20 0.38
SCN5A Q14524 1/20 0.33
ATM Q13315 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
PDE2A O00408 1/20 0.32
RECQL P46063 4/20 0.31
TDP1 Q9NUW8 4/20 0.31
KDM4E B2RXH2 3/20 0.31
MAPT P10636 3/20 0.31
ALDH1A1 P00352 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
SCHEMBL5190967 0.77 LMNA (0.36) TRPA1LMNAADRA1ACHRM1SLC6A2
SCHEMBL1981588 0.76 LMNA (0.48) TRPA1LMNAADRA1ACHRM1SLC6A2
SCHEMBL3918723 0.76 ADRB2 (0.36) TRPA1LMNAADRA1ACHRM1SLC6A2
SCHEMBL9862038 0.74 ALDH1A1 (0.37) TRPA1LMNAADRA1ACHRM1SLC6A2
SCHEMBL483998 0.73 KDM4E (0.38) TRPA1LMNAADRA1ACHRM1SLC6A2
SCHEMBL21195120 0.72 TRPA1 (0.39) TRPA1LMNAADRA1ACHRM1SLC6A2
SCHEMBL9861539 0.71 GABRA1 (0.48) TRPA1LMNASLC6A2HTR2BATM
SCHEMBL24217828 0.70 ADRB2 (0.42) TRPA1LMNAADRA1ACHRM1SLC6A2
SCHEMBL5394172 0.70 LMNA (0.52) TRPA1LMNAADRA1ACHRM1SLC6A2
SCHEMBL2989000 0.70 ADRB2 (0.42) TRPA1LMNAADRA1ACHRM1SLC6A2

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