SCHEMBL9636655

SCHEMBL9636655

CCCCc1cc(CC(C)C)cc(CCCC)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
TYR P14679 3/20 0.42
ALOX5 P09917 5/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EGFR P00533 1/20 0.39
PTGS2 P35354 6/20 0.39
CYP3A4 P08684 2/20 0.37
FFAR1 O14842 1/20 0.37
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4659133 0.85 NPC1 (0.48) GABRA1GABRB2TYRHTTNPC1
SCHEMBL28636752 0.84 TYR (0.39) TYRALOX5HTTNPC1HPGD
SCHEMBL8370068 0.84 EGFR (0.41) TYRALOX5HTTNPC1HPGD
SCHEMBL201692 0.82 NPC1 (0.57) TYRALOX5HTTNPC1HPGD
SCHEMBL4798703 0.81 GABRA1 (0.69) GABRA1GABRB2TYRALOX5HTT
SCHEMBL8517221 0.81 EGFR (0.43) GABRA1GABRB2TYRALOX5HTT
SCHEMBL11796160 0.81 TYR (0.39) TYRALOX5HTTNPC1HPGD
SCHEMBL11795637 0.80 GABRA1 (0.39) GABRA1GABRB2ALOX5NPSR1PTGS2
SCHEMBL6314093 0.80 HTT (0.50) TYRALOX5HTTNPC1HPGD
SCHEMBL27977349 0.80 NPC1 (0.55) TYRALOX5HTTNPC1HPGD

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
EP-0489050-A1 ARYL ESTER AMIDE HALIDES OF PHOSPHONOUS ACID, ARYL ESTER AMIDES OF PHOSPHONOUS ACID, PROCESS FOR PREPARING THEM AND THEIR USE TO STABILIZE PLASTICS HOECHST AKTIENGESELLSCHAFT (DE) 1992-06-10 EP disclosed
WO-1991002738-A1 ARYL ESTER AMIDE HALIDES OF PHOSPHONOUS ACID, ARYL ESTER AMIDES OF PHOSPHONOUS ACID, PROCESS FOR PREPARING THEM AND THEIR USE TO STABILIZE PLASTICS HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-07 WO disclosed