SCHEMBL4332833

SCHEMBL4332833

C=CCCOCCOCCOCCC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
ALDH1A1 P00352 3/20 0.43
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PLA2G2C Q5R387 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
HSD17B10 Q99714 2/20 0.32
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
MAPT P10636 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
SCHEMBL1455213 0.97
SCHEMBL20226789 0.91 TSHR (0.44) TSHRALDH1A1PLA2G2CMEN1KMT2A
SCHEMBL13284809 0.86 CA2 (0.42) TSHRALDH1A1CA2CA9MEN1
SCHEMBL8731771 0.86 CA2 (0.42) TSHRALDH1A1CA2CA9MEN1
SCHEMBL17052578 0.86 CA2 (0.42) TSHRALDH1A1CA2CA9MEN1
SCHEMBL12787211 0.85 TSHR (0.52) TSHRALDH1A1PLA2G2CMEN1KMT2A
SCHEMBL8385597 0.85 TSHR (0.52) TSHRALDH1A1PLA2G2CMEN1KMT2A
SCHEMBL7543229 0.84 TSHR (0.41) TSHRALDH1A1CA2CA9PLA2G2C
SCHEMBL7563357 0.83 TSHR (0.52) TSHRALDH1A1PLA2G2CMEN1KMT2A
SCHEMBL76625 0.83

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
US-20090280302-A1 Photocurable Ink Composition, Ink Jet Recording Method, and Recording Matter SEIKO EPSON CORPORATION (JP) 2009-11-12 US disclosed