SCHEMBL4355098

SCHEMBL4355098

CCCCCCCCCC1C=CCC=C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
EPHX1 P07099 1/20 0.39
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
EBP Q15125 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
GBA1 P04062 3/20 0.32
CYP1A2 P05177 2/20 0.32
HTT P42858 1/20 0.32
SPHK1 Q9NYA1 4/20 0.32
SPHK2 Q9NRA0 3/20 0.32
GUSB P08236 1/20 0.32

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
SCHEMBL4352556 1.00 ALDH1A1 (0.41) ALDH1A1EPHX1TSHRTHRBEBP
SCHEMBL4363182 1.00 ALDH1A1 (0.41) ALDH1A1EPHX1TSHRTHRBEBP
SCHEMBL4354952 1.00 ALDH1A1 (0.41) ALDH1A1EPHX1TSHRTHRBEBP
SCHEMBL4362046 1.00 ALDH1A1 (0.41) ALDH1A1EPHX1TSHRTHRBEBP
SCHEMBL4350624 0.91 CYP1A2 (0.36) ALDH1A1CYP1A2
SCHEMBL9204385 0.87 ALDH1A1 (0.39) ALDH1A1EPHX1TSHRTHRBALOX5
SCHEMBL4367088 0.83 TSHR (0.47) ALDH1A1EPHX1TSHRTHRBEBP
SCHEMBL4355091 0.83 TSHR (0.47) ALDH1A1EPHX1TSHRTHRBEBP
SCHEMBL4351026 0.83 TSHR (0.47) ALDH1A1EPHX1TSHRTHRBEBP
SCHEMBL6524652 0.83 TSHR (0.47) ALDH1A1EPHX1TSHRTHRBEBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487071-B2 Polyether polymer and production process thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-16 US disclosed
US-20110065889-A1 POLYETHER POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-17 US disclosed
WO-2009142094-A1 POLYETHER POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-26 WO disclosed