SCHEMBL9862018

SCHEMBL9862018

CC(C)c1ccc(CO)c(O)c1CO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.55
GABRG2 P18507 3/20 0.55
GABRB3 P28472 3/20 0.55
ACE2 Q9BYF1 2/20 0.41
GABRB1 P18505 4/20 0.40
GABRB2 P47870 3/20 0.40
HPGD P15428 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
LMNA P02545 2/20 0.40
SLC6A2 P23975 2/20 0.40
HTR2B P41595 2/20 0.40
FAAH O00519 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.40
HTR2C P28335 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40

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
SCHEMBL6321869 0.80 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRB1GABRB2
SCHEMBL3889299 0.76 GABRA1 (0.50) GABRA1GABRG2GABRB3ACE2GABRB1
SCHEMBL10912412 0.75 KDM4E (0.45) GABRA1GABRG2GABRB3HPGDLMNA
SCHEMBL29493008 0.75 KDM4E (0.45) GABRA1GABRG2GABRB3HPGDLMNA
SCHEMBL5526043 0.74 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB1GABRB2
SCHEMBL15397424 0.73 GABRA1 (0.76) GABRA1GABRG2GABRB3ACE2GABRB1
SCHEMBL2927393 0.73 GABRA1 (0.64) GABRA1GABRG2GABRB3ACE2GABRB1
SCHEMBL9861974 0.72 ALDH1A1 (0.44) GABRA1GABRG2GABRB3HPGDLMNA
SCHEMBL10245691 0.72 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB1GABRB2
SCHEMBL5468115 0.72 KDM4E (0.39) HPGDLMNACYP1A2KDM4EALDH1A1

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