SCHEMBL8101414

SCHEMBL8101414

CC(C)C1C2CC3CC(C2)CC1(OC(=O)/C=C/C(=O)OC12CC4CC(CC(C4)C1C(C)C)C2)C3

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
THRB P10828 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 2/20 0.32
EPHX1 P07099 2/20 0.32
NPC1 O15118 1/20 0.32
CYP2C9 P11712 1/20 0.32
TRPV1 Q8NER1 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL8101416 0.94 THRB (0.41) ALDH1A1THRBLMNAHTTSMN1; SMN2
SCHEMBL8101420 0.94 THRB (0.41) ALDH1A1THRBLMNAHTTSMN1; SMN2
SCHEMBL29618128 0.88 TSHR (0.31) ALDH1A1EPHX2EPHX1NPC1
SCHEMBL2112114 0.79 TSHR (0.31) ALDH1A1EPHX2EPHX1NPC1
SCHEMBL5917758 0.79 THRB (0.37) ALDH1A1THRBLMNAHTTSMN1; SMN2
SCHEMBL2741163 0.78 ALDH1A1 (0.36) ALDH1A1LMNASMN1; SMN2EPHX2
SCHEMBL2741160 0.76 KMT2A (0.31) SMN1; SMN2
SCHEMBL5917724 0.75 ALDH1A1 (0.38) ALDH1A1THRBLMNAHTTSMN1; SMN2
SCHEMBL5917760 0.74 THRB (0.45) ALDH1A1THRBLMNAHTTSMN1; SMN2
SCHEMBL5917763 0.74 THRB (0.45) ALDH1A1THRBLMNAHTTSMN1; SMN2

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-1006130-A1 Fumaric acid diester resin composition, cross-linked fumaric acid diester resin and process NOF CORPORATION (JP) 2000-06-07 EP disclosed