SCHEMBL19601496

SCHEMBL19601496

C=CC(=O)OCCCOc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(OCCOC(=O)C=C)cc4)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.52
TSHR P16473 3/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
RARB P10826 4/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
PPARA Q07869 2/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
PPARG P37231 1/20 0.37
ATM Q13315 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL17528628 0.98 THRB (0.48) THRBTSHRHPGDMEN1KMT2A
SCHEMBL19601508 0.98 THRB (0.48) THRBTSHRHPGDMEN1KMT2A
SCHEMBL13854044 0.96 THRB (0.56) THRBTSHRHPGDMEN1KMT2A
SCHEMBL19229843 0.95 THRB (0.48) THRBTSHRHPGDMEN1KMT2A
SCHEMBL19229844 0.94 THRB (0.47) THRBTSHRHPGDMEN1KMT2A
SCHEMBL20414484 0.94 TSHR (0.51) THRBTSHRHPGDMEN1KMT2A
SCHEMBL14195437 0.94 TSHR (0.51) THRBTSHRHPGDMEN1KMT2A
SCHEMBL26532006 0.93 THRB (0.52) THRBTSHRHPGDMEN1KMT2A
SCHEMBL14179115 0.93 THRB (0.60) THRBTSHRHPGDMEN1KMT2A
SCHEMBL25830897 0.92 THRB (0.61) THRBTSHRHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170329199-A1 ELECTROCHROMIC DEVICE RICOH COMPANY, LTD. (JP) 2017-11-16 US disclosed
US-20170329199-A1 ELECTROCHROMIC DEVICE RICOH COMPANY, LTD. (JP) 2017-11-16 US disclosed