SCHEMBL9577482

SCHEMBL9577482

CCCCc1cc(C)cc(CCCC)c1P(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.40
HTT P42858 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NOS2 P35228 1/20 0.38
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX5 P09917 2/20 0.34
CYP3A4 P08684 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL280118 0.77 TYR (0.48) TYRHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL29112780 0.75 TYR (0.47) TYRHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL28665182 0.75 TYR (0.47) TYRHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL11691828 0.74 NOS2 (0.42) TYRHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL1023112 0.73 TYR (0.46) TYRHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL28181639 0.73 TYR (0.46) TYRHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL6763264 0.72 NOS2 (0.50) TYRHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL1141588 0.72 AMY1A (0.53) TYRHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL11157515 0.72 AMY1A (0.53) TYRHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL4803729 0.72 HTT (0.50) TYRHTTALDH1A1MAPTSMN1; SMN2

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-5268429-A Linear block copolymer of vinylaromatic hydrocarbon and conjugated alkadiene SHELL OIL COMPANY (US) 1993-12-07 US disclosed