SCHEMBL11040447

SCHEMBL11040447

CC(C)c1cccc(O)c1OO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.56
GABRB2 P47870 2/20 0.56
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
TSHR P16473 2/20 0.52
CYP3A4 P08684 2/20 0.52
HPGD P15428 2/20 0.52
FAAH O00519 1/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
GABRB1 P18505 1/20 0.52
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
HTR2C P28335 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
HTR2B P41595 1/20 0.52
GABRA2 P47869 1/20 0.52

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
SCHEMBL315900 0.87 GABRA1 (0.54) GABRA1GABRB2CA1CA2GABRG2
SCHEMBL458285 0.83 GABRA1 (0.56) GABRA1GABRB2CA1CA2GABRG2
SCHEMBL6062443 0.81 GABRA1 (0.53) GABRA1GABRB2CA1CA2GABRG2
SCHEMBL10521097 0.81 GABRA1 (0.48) GABRA1GABRB2CA1CA2GABRG2
SCHEMBL6320516 0.79 GABRA1 (0.46) GABRA1GABRB2CA1CA2GABRG2
SCHEMBL461156 0.77 GABRA1 (0.40) GABRA1GABRB2CA1CA2GABRG2
SCHEMBL49976 0.75 GABRA1 (0.42) GABRA1GABRB2CA1CA2GABRG2
SCHEMBL301445 0.73 GABRA1 (0.76) GABRA1GABRB2CA1CA2GABRG2
SCHEMBL31658451 0.73 GABRA1 (0.76) GABRA1GABRB2CA1CA2GABRG2
SCHEMBL3831452 0.73 GABRA1 (0.65) GABRA1GABRB2CA1CA2GABRG2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4339614-A Superacid catalyzed preparation of resorcinol from meta-isopropylphenol PCUK PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1982-07-13 US claimed
US-4424382-A Superacid catalyzed preparation of resorcinol from meta-isopropylepheol PCUK PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1984-01-03 US disclosed
US-4424382-A Superacid catalyzed preparation of resorcinol from meta-isopropylepheol PCUK PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1984-01-03 US disclosed
US-4423254-A Superacid catalyzed preparation of resorcinol from meta-isopropylphenol PCUK PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1983-12-27 US disclosed
US-4423254-A Superacid catalyzed preparation of resorcinol from meta-isopropylphenol PCUK PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1983-12-27 US disclosed
US-4339614-A Superacid catalyzed preparation of resorcinol from meta-isopropylphenol PCUK PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1982-07-13 US disclosed
US-4339614-A Superacid catalyzed preparation of resorcinol from meta-isopropylphenol PCUK PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1982-07-13 US disclosed