SCHEMBL7750765

SCHEMBL7750765

CCCCCCCCCCCCCCCCOCCOCCOc1ccc(N)cc1OCCOCCOCCCCCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
GAA P10253 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 2/20 0.49
KMT2A Q03164 2/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
ATM Q13315 1/20 0.49
TLR8 Q9NR97 2/20 0.43
CHUK O15111 1/20 0.43
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43
ROCK2 O75116 1/20 0.43
PRKCG P05129 1/20 0.43

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
SCHEMBL7750781 1.00 TSHR (0.50) TSHRGAAALDH1A1MAPTKDM4E
SCHEMBL7747651 1.00 TSHR (0.50) TSHRGAAALDH1A1MAPTKDM4E
SCHEMBL7748209 1.00 TSHR (0.50) TSHRGAAALDH1A1MAPTKDM4E
SCHEMBL7045171 0.92 TSHR (0.57) TSHRGAAALDH1A1MAPTKDM4E
SCHEMBL1608893 0.92 TSHR (0.57) TSHRGAAALDH1A1MAPTKDM4E
SCHEMBL9168790 0.92 TSHR (0.57) TSHRGAAALDH1A1MAPTKDM4E
SCHEMBL17817108 0.92 TSHR (0.57) TSHRGAAALDH1A1MAPTKDM4E
SCHEMBL3278460 0.92 TSHR (0.57) TSHRGAAALDH1A1MAPTKDM4E
SCHEMBL7045133 0.92 TSHR (0.57) TSHRGAAALDH1A1MAPTKDM4E
SCHEMBL7043129 0.92 TSHR (0.57) TSHRGAAALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323163-B1 PERFLUOROPOLYOXYALKYLENE CHAIN HAVING AVERAGE MOLECULAR WEIGHT OF 800 OR MORE, CONTAINING CYCLIC POLYETHER GROUP HAVING AT LEAST 4 OXYGEN ATOMS, ALSO HAVING AMIDE, SULFONAMIDE, ETHER OR ESTER LINKAGE BETWEEN CHAIN AND CYCLIC GROUP HITACHI, LTD. (JP) 2001-11-27 US disclosed