SCHEMBL3766031

SCHEMBL3766031

C=C/C(CC)=C(\CC)CCCC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 4/20 0.35
CES1 P23141 2/20 0.35
CES2 O00748 1/20 0.35
ZDHHC20 Q5W0Z9 2/20 0.32
ZDHHC2 Q9UIJ5 2/20 0.32
TP53 P04637 1/20 0.32
CA1 P00915 1/20 0.31
FAAH O00519 1/20 0.31
THRB P10828 1/20 0.30

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
SCHEMBL3766034 1.00 TSHR (0.39) TSHRHPGDALDH1A1CES1CES2
SCHEMBL9706908 0.84 TSHR (0.41) TSHRHPGDALDH1A1CES1CES2
SCHEMBL9706910 0.84 TSHR (0.41) TSHRHPGDALDH1A1CES1CES2
SCHEMBL6906788 0.82 ALDH1A1 (0.41) TSHRALDH1A1TP53
SCHEMBL20942853 0.79 CES1 (0.39) TSHRHPGDALDH1A1CES1CES2
SCHEMBL20942854 0.79 CES1 (0.39) TSHRHPGDALDH1A1CES1CES2
SCHEMBL20177118 0.74 ALDH1A1 (0.41) TSHRHPGDALDH1A1CES1CES2
SCHEMBL346418 0.73 CES1 (0.45) TSHRALDH1A1CES1CES2TP53
Bicarbonate SCHEMBL980934 0.73 ALDH1A1 (0.46) TSHRHPGDALDH1A1
SCHEMBL1203910 0.73 CES2 (0.41) TSHRALDH1A1CES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842447-B2 Toner CANON KABUSHIKI KAISHA (JP) 2010-11-30 US disclosed
CN-100428059-C Toner CANON KK (JP) 2008-10-22 CN disclosed
EP-1462860-B1 Toner CANON KK (JP) 2006-08-30 EP disclosed
US-20060141380-A1 Toner CANON KABUSHIKI KAISHA (JP) 2006-06-29 US disclosed
CN-1605946-A Toner CANON KK (JP) 2005-04-13 CN disclosed
EP-1462860-A2 Toner CANON KABUSHIKI KAISHA (JP) 2004-09-29 EP disclosed