SCHEMBL1614593

SCHEMBL1614593

CCCCC(CO)C(CC)CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
LMNA P02545 3/20 0.52
CA2 P00918 3/20 0.39
MAPK1 P28482 1/20 0.39
CA1 P00915 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 3/20 0.36
DNM1 Q05193 1/20 0.36
CYP3A4 P08684 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FDPS P14324 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
KDM4E B2RXH2 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
SCHEMBL28605325 0.95 ALDH1A1 (0.54) ALDH1A1LMNACA2MAPK1CA1
SCHEMBL6463333 0.92 ALDH1A1 (0.55) ALDH1A1LMNACA2MAPK1TSHR
SCHEMBL21694617 0.89 ALDH1A1 (0.52) ALDH1A1LMNACA2MAPK1TSHR
SCHEMBL28367852 0.88 ALDH1A1 (0.48) ALDH1A1LMNACA2MAPK1CA1
SCHEMBL1614709 0.86 ALDH1A1 (0.50) ALDH1A1LMNACA2MAPK1TSHR
SCHEMBL25220026 0.85 LMNA (0.56) ALDH1A1LMNATSHRCYP3A4FDPS
SCHEMBL9851940 0.84 ALDH1A1 (0.48) ALDH1A1LMNATSHRDNM1CYP3A4
SCHEMBL28486523 0.84 ALDH1A1 (0.50) ALDH1A1LMNACA2MAPK1TSHR
SCHEMBL19053609 0.83 LMNA (0.59) ALDH1A1LMNATSHRCYP3A4SMN1; SMN2
SCHEMBL1613784 0.83 LMNA (0.64) ALDH1A1LMNATDP1TSHRCYP3A4

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-20110086975-A1 COLORED GEL COAT COMPOSITION AND ARTICLE VALSPAR SOURCING, INC. 2011-04-14 US disclosed