SCHEMBL354047

SCHEMBL354047

C=CC(=O)OC1(C(CC)(CC)CC)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
TSHR P16473 3/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL352541 0.88 TSHR (0.40) THRBTSHRHPGD
SCHEMBL353129 0.87 TSHR (0.35) THRBTSHRHPGDALDH1A1
SCHEMBL10988589 0.81
SCHEMBL57573 0.81
SCHEMBL31564977 0.79 TSHR (0.31) TSHR
SCHEMBL17300331 0.79 TSHR (0.31) TSHR
SCHEMBL354732 0.78 ALDH1A1 (0.33) THRBTSHRALDH1A1
SCHEMBL21911839 0.76 ALDH1A1 (0.34) THRBTSHRALDH1A1
SCHEMBL18176987 0.75 ADORA3 (0.33)
SCHEMBL525794 0.74 TSHR (0.36) THRBTSHRHPGDALDH1A1TP53

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-8535873-B2 Photosensitive resin composition SHOWA DENKO K.K. (JP) 2013-09-17 US disclosed
US-20120015300-A1 PHOTOSENSITIVE RESIN COMPOSITION RESONAC CORPORATION (JP) 2012-01-19 US disclosed