SCHEMBL5521906

SCHEMBL5521906

CCC(C)c1cc(O)c(O)c(O)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
RORC P51449 1/20 0.44
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
SELL P14151 1/20 0.34
SELP P16109 1/20 0.34
SELE P16581 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 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
SCHEMBL5950381 0.79 ESR1 (0.43) TSHRUSP2ALDH1A1HPGDALOX15
SCHEMBL5523844 0.79 GABRA1 (0.50) TSHRGAAHPGDGABRA1GABRB2
SCHEMBL1244603 0.78 TSHR (0.42) TSHRRORCUSP2ALDH1A1GAA
SCHEMBL7762441 0.78 TSHR (0.60) TSHRRORCUSP2ALDH1A1GAA
SCHEMBL3625571 0.76 SELL (0.42) ALDH1A1GAAHSD17B10GABRA1GABRB2
SCHEMBL11705699 0.73 TSHR (0.50) TSHRRORCUSP2ALDH1A1GAA
SCHEMBL14430167 0.73 TSHR (0.50) TSHRRORCUSP2ALDH1A1GAA
SCHEMBL16736673 0.73 TSHR (0.46) TSHRRORCUSP2ALDH1A1GAA
SCHEMBL6943323 0.72 TSHR (0.48) TSHRRORCUSP2ALDH1A1GAA
SCHEMBL16736591 0.72 RORC (0.49) TSHRRORCUSP2ALDH1A1GAA

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
CN-100446990-C Color developing agent for recording material ASAHI CHEMICAL CORP (JP) 2008-12-31 CN disclosed
US-20070099130-A1 Developer for recording materials CHEMIPRO KASEI KAISHA, LTD. (JP) 2007-05-03 US disclosed
CN-1812887-A Developer for recording materials ASAHI CHEMICAL CORP (JP) 2006-08-02 CN disclosed
EP-1637337-A1 DEVELOPER FOR RECORDING MATERIALS Asahi Kasei Chemicals Corporation (JP) 2006-03-22 EP disclosed