SCHEMBL8518211

SCHEMBL8518211

Cc1cccc(O)c1C(CC(C)C)c1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
GABRA1 P14867 3/20 0.44
GABRB2 P47870 3/20 0.44
POLB P06746 1/20 0.41
TRPA1 O75762 2/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
ELANE P08246 1/20 0.35
CTSG P08311 1/20 0.35
HPGD P15428 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
FAAH O00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 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
SCHEMBL8518007 0.83 TSHR (0.52) TSHRGABRA1GABRB2POLBTRPA1
SCHEMBL9751998 0.82 GABRA1 (0.58) TSHRGABRA1GABRB2POLBTRPA1
SCHEMBL5834902 0.80 TRPA1 (0.42) TSHRGABRA1GABRB2TRPA1ATM
SCHEMBL836116 0.78 GABRA1 (0.52) TSHRGABRA1GABRB2POLBTRPA1
SCHEMBL8519171 0.76 TSHR (0.40) TSHRATMMEN1KMT2AMAPT
SCHEMBL4657611 0.73 GABRA1 (0.42) TSHRGABRA1GABRB2POLBTRPA1
SCHEMBL2979477 0.73 TSHR (0.67) TSHRGABRA1GABRB2POLBTRPA1
SCHEMBL9169241 0.73 TRPA1 (0.46) TSHRTRPA1ATMLMNAMEN1
SCHEMBL9329661 0.71 GABRA1 (0.58) TSHRGABRA1GABRB2POLBTRPA1
SCHEMBL184407 0.70 TRPA1 (0.52) TSHRGABRA1GABRB2TRPA1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5925691-A MIXING WITH REFRACTORY AN ALKALINE PHENOL-ALDEHYDE RESIN PRODUCED BY THE COPOLYCONDENSATION OF: A PHENOL, POLYHYDRIC PHENOL, OR ALKYLPHENOL WITH A BISPHENOL AND AN ALDEHYDE COMPOUND; FLOWABILITY AND FILLING PROPERTIES KAO CORPORATION (JP) 1999-07-20 US disclosed
EP-0606149-A2 Binder composition for mold and method for producing mold KAO CORPORATION (JP) 1994-07-13 EP disclosed