SCHEMBL7043129

SCHEMBL7043129

CCCCCCCCCCCCOc1ccc(N)cc1OCCCCCCCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
MAPT P10636 4/20 0.56
GAA P10253 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
USP2 O75604 1/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56
CASP1 P29466 1/20 0.56
HTT P42858 1/20 0.56
CASP7 P55210 1/20 0.56
ATM Q13315 1/20 0.56
TLR8 Q9NR97 2/20 0.49
CHUK O15111 1/20 0.48
DAPK3 O43293 1/20 0.48
JAK2 O60674 1/20 0.48
ROCK2 O75116 1/20 0.48
PRKCG P05129 1/20 0.48

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
SCHEMBL3278460 1.00 TSHR (0.57) TSHRMAPTGAAALDH1A1KDM4E
SCHEMBL7045171 1.00 TSHR (0.57) TSHRMAPTGAAALDH1A1KDM4E
SCHEMBL1608893 1.00 TSHR (0.57) TSHRMAPTGAAALDH1A1KDM4E
SCHEMBL17817108 1.00 TSHR (0.57) TSHRMAPTGAAALDH1A1KDM4E
SCHEMBL7045133 1.00 TSHR (0.57) TSHRMAPTGAAALDH1A1KDM4E
SCHEMBL9168790 1.00 TSHR (0.57) TSHRMAPTGAAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11836521 0.96 GAA (0.61) TSHRMAPTGAAALDH1A1KDM4E
SCHEMBL11747860 0.95 GAA (0.60) TSHRMAPTGAAALDH1A1KDM4E
SCHEMBL7056177 0.92 GAA (0.59) TSHRMAPTGAAALDH1A1KDM4E
SCHEMBL7750765 0.92 TSHR (0.50) TSHRMAPTGAAALDH1A1KDM4E

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
EP-1054049-B1 Optical compensators CHISSO CORP (JP) 2003-04-02 EP disclosed
EP-1054049-A1 Optical compensators CHISSO CORPORATION (JP) 2000-11-22 EP disclosed
US-5453220-A Calixarene-based transition metal complexes and photonic devices comprising the same THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1995-09-26 US disclosed