SCHEMBL9862066

SCHEMBL9862066

CC(C)c1c(O)cccc1C(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.52
GABRB2 P47870 2/20 0.52
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
HPGD P15428 3/20 0.48
LMNA P02545 3/20 0.48
TSHR P16473 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
CYP3A4 P08684 2/20 0.48
SLC6A2 P23975 2/20 0.48
HTR2B P41595 2/20 0.48
FAAH O00519 1/20 0.48
CYP1A2 P05177 1/20 0.48
GABRB1 P18505 1/20 0.48
PTGS1 P23219 1/20 0.48
HTR2C P28335 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48

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
SCHEMBL478223 0.86 GABRA1 (0.62) GABRA1GABRB2CA1CA2HPGD
SCHEMBL30521988 0.86 GABRA1 (0.62) GABRA1GABRB2CA1CA2HPGD
Ammonia Solution, Strong SCHEMBL7543608 0.84 GABRA1 (0.60) GABRA1GABRB2CA1CA2HPGD
SCHEMBL27771554 0.84 GABRA1 (0.60) GABRA1GABRB2CA1CA2HPGD
Benzene SCHEMBL1839108 0.84 GABRA1 (0.60) GABRA1GABRB2CA1CA2HPGD
SCHEMBL27717108 0.84 GABRA1 (0.60) GABRA1GABRB2CA1CA2HPGD
SCHEMBL725385 0.81 GABRA1 (0.52) GABRA1GABRB2CA1CA2HPGD
SCHEMBL29297709 0.81 GABRA1 (0.50) GABRA1GABRB2CA1CA2HPGD
SCHEMBL9167211 0.78 TSHR (0.52) GABRA1GABRB2CA1CA2HPGD
Orthocresol SCHEMBL13729731 0.76 GABRA1 (0.55) GABRA1GABRB2CA1CA2HPGD

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