SCHEMBL8518007

SCHEMBL8518007

CCC(c1ccccc1O)c1c(C)cccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
BCHE P06276 1/20 0.41
TYR P14679 1/20 0.41
ACHE P22303 1/20 0.41
TRPA1 O75762 2/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL9169241 0.87 TRPA1 (0.46) TSHRBCHETYRACHETRPA1
SCHEMBL8518211 0.83 TSHR (0.44) TSHRGABRA1GABRB2TRPA1ATM
SCHEMBL8519171 0.82 TSHR (0.40) TSHRATMMAPTMEN1KMT2A
SCHEMBL29860994 0.81 TSHR (0.68) TSHRGABRA1GABRB2BCHETYR
SCHEMBL296591 0.81 TSHR (0.68) TSHRGABRA1GABRB2BCHETYR
SCHEMBL7809655 0.79 TSHR (0.65) TSHRGABRA1GABRB2BCHETYR
Ammonia Solution, Strong SCHEMBL28876892 0.79 TSHR (0.65) TSHRGABRA1GABRB2BCHETYR
SCHEMBL936321 0.77 TSHR (0.63) TSHRGABRA1GABRB2BCHETYR
SCHEMBL1238318 0.77 TSHR (0.63) TSHRGABRA1GABRB2BCHETYR
SCHEMBL836116 0.77 GABRA1 (0.52) TSHRGABRA1GABRB2TYRTRPA1

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