SCHEMBL622136

SCHEMBL622136

CCCCC(CC)CCC(O)CO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
CA2 P00918 2/20 0.47
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 5/20 0.45
TSHR P16473 3/20 0.45
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.39
USP2 O75604 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.37
PLA2G2C Q5R387 1/20 0.36
CYP2D6 P10635 2/20 0.35
SPHK1 Q9NYA1 1/20 0.35
GMNN O75496 1/20 0.35
POLB P06746 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
BLM P54132 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL14922948 0.91 ALDH1A1 (0.64) ALDH1A1CA2LMNATDP1CYP3A4
SCHEMBL14125928 0.89 ALDH1A1 (0.58) ALDH1A1CA2LMNATDP1CYP3A4
SCHEMBL2989513 0.86 ALDH1A1 (0.56) ALDH1A1CA2LMNATDP1CYP3A4
SCHEMBL4601538 0.86 ALDH1A1 (0.56) ALDH1A1CA2LMNATDP1CYP3A4
SCHEMBL10908012 0.84 ALDH1A1 (0.54) ALDH1A1CA2LMNATDP1CYP3A4
Glycerin SCHEMBL27075577 0.84 ALDH1A1 (0.82) ALDH1A1CA2LMNATDP1CYP3A4
SCHEMBL13677485 0.84 THRB (0.48) ALDH1A1LMNATDP1TSHRTHRB
SCHEMBL2388866 0.83 ALDH1A1 (0.64) ALDH1A1CA2LMNATDP1CYP3A4
SCHEMBL14125691 0.83 ALDH1A1 (0.52) ALDH1A1CA2LMNATDP1CYP3A4
SCHEMBL27678371 0.83 ALDH1A1 (0.64) ALDH1A1CA2LMNATDP1CYP3A4

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-9649852-B2 Ink jet recording method, ink set, and recorded matter SEIKO EPSON CORPORATION (JP) 2017-05-16 US disclosed
US-20120040155-A1 INK JET RECORDING METHOD, INK SET, AND RECORDED MATTER SEIKO EPSON CORPORATION (JP) 2012-02-16 US disclosed