SCHEMBL526025

SCHEMBL526025

CCCCCCCCc1scc2c1OCCO2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.46
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
BAZ2B Q9UIF8 1/20 0.39
CYP1A1 P04798 1/20 0.36
TSHR P16473 1/20 0.35
GBA1 P04062 1/20 0.34
HPGD P15428 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
GPR35 Q9HC97 4/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL21126678 1.00 HTT (0.46) HTTKDM4EMAPTGPR55BAZ2B
SCHEMBL867216 1.00 HTT (0.46) HTTKDM4EMAPTGPR55BAZ2B
SCHEMBL23091412 0.93 HTT (0.48) HTTKDM4EMAPTGPR55BAZ2B
SCHEMBL31404132 0.92 HTT (0.47) HTTKDM4EMAPTGPR55BAZ2B
SCHEMBL25402123 0.86 HTT (0.46) HTTKDM4EMAPTGPR55BAZ2B
SCHEMBL10275020 0.79 HTT (0.49) HTTKDM4EMAPTGPR55BAZ2B
SCHEMBL32665837 0.76 HTT (0.42) HTTKDM4EMAPTGPR55BAZ2B
SCHEMBL14748798 0.76 HTT (0.36) HTTKDM4EMAPTGPR55BAZ2B
SCHEMBL13917370 0.76 HTT (0.34) HTTKDM4EMAPTGPR55BAZ2B
SCHEMBL19376348 0.75 HTT (0.38) HTTKDM4EMAPTGPR55BAZ2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907209-B2 Photoelectric conversion element DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2014-12-09 US disclosed
EP-2684872-A1 COMPOUND HAVING HEPTAMETHINE STRUCTURE, SENSITIZING DYE AND PHOTOELECTRIC CONVERSION ELEMENT Gifu University (JP) 2014-01-15 EP disclosed
EP-2665121-A1 PHOTOELECTRIC CONVERSION ELEMENT Dai-Ichi Kogyo Seiyaku Co., Ltd. (JP) 2013-11-20 EP disclosed
US-20130291943-A1 PHOTOELECTRIC CONVERSION ELEMENT DAI-ICHI KOGYO SEIYAKU CO., LTD (JP) 2013-11-07 US disclosed
WO-2012013719-A1 NEW CYCLOMETALATED COMPLEXES FOR SOLAR CELLS UNIVERSITA' DEGLI STUDI DI MILANO BICOCCA (IT) 2012-02-02 WO disclosed