SCHEMBL4384326

SCHEMBL4384326

C=CC(=O)OCC(CCCCC)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.58
HPGD P15428 1/20 0.51
CA1 P00915 2/20 0.41
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
ABCB1 P08183 1/20 0.38
THRB P10828 2/20 0.38
THRA P10827 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.37
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL28540358 0.95 TSHR (0.64) TSHRHPGDCA1MAPTALDH1A1
SCHEMBL652270 0.84 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4ABCB1
SCHEMBL2393951 0.84 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4ABCB1
SCHEMBL991726 0.83 TSHR (0.61) TSHRHPGDCA1MAPTALDH1A1
SCHEMBL9551745 0.83 TSHR (0.65) TSHRHPGDCA1MAPTALDH1A1
SCHEMBL25381657 0.82 TSHR (0.59) TSHRHPGDMAPTALDH1A1CYP3A4
SCHEMBL652832 0.82 TSHR (0.59) TSHRHPGDMAPTALDH1A1CYP3A4
SCHEMBL3764922 0.82 TSHR (0.59) TSHRHPGDMAPTALDH1A1CYP3A4
SCHEMBL651685 0.82 TSHR (0.59) TSHRHPGDMAPTALDH1A1CYP3A4
SCHEMBL6451963 0.82 TSHR (0.59) TSHRHPGDMAPTALDH1A1CYP3A4

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
EP-2078786-A2 Method for printing on non-white absorbent materials BASF SE (DE) 2009-07-15 EP disclosed