SCHEMBL27646458

SCHEMBL27646458

C=CC(=O)OC1(C(=O)OCCCCCCC)CCCCC1C(=O)OCCCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
HCAR2 Q8TDS4 2/20 0.34
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRKCA P17252 4/20 0.32
EPHX2 P34913 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
NAAA Q02083 1/20 0.32
CES2 O00748 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
SCHEMBL27646369 1.00 TSHR (0.40) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL27646424 1.00 TSHR (0.40) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL27626101 1.00 TSHR (0.40) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL27626112 1.00 TSHR (0.40) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL27626176 1.00 TSHR (0.40) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL27626110 1.00 TSHR (0.40) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL27626055 1.00 TSHR (0.40) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL27626094 1.00 TSHR (0.40) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL27646508 1.00 TSHR (0.40) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL27626120 1.00 TSHR (0.40) TSHRHPGDALDH1A1CYP3A4HCAR2

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
CN-1784203-A Cosmetic composition containing cyclohexane polycarboxylic acid derivative BASF AG (DE) 2006-06-07 CN disclosed