SCHEMBL7963314

SCHEMBL7963314

CCC(C)C(CC)COCCO

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL23665290 0.89 MEN1 (0.46) ALDH1A1TSHRMAPK1HSD17B10MEN1
SCHEMBL7963312 0.78 HSD17B10 (0.32) HSD17B10
SCHEMBL23250931 0.77 TSHR (0.45) ALDH1A1TSHRMAPK1HSD17B10MEN1
SCHEMBL27642083 0.76 TSHR (0.50) ALDH1A1TSHRMAPK1HSD17B10MEN1
SCHEMBL39518 0.75
SCHEMBL14900153 0.75
SCHEMBL629228 0.72 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1HSD17B10MEN1
SCHEMBL8304410 0.72 TSHR (0.45) ALDH1A1TSHRMAPK1HSD17B10MEN1
SCHEMBL14193569 0.71 MEN1 (0.50) ALDH1A1TSHRMAPK1HSD17B10MEN1
SCHEMBL25299176 0.71 MEN1 (0.50) ALDH1A1TSHRMAPK1HSD17B10MEN1

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-6204222-B1 SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed