SCHEMBL9502061

SCHEMBL9502061

CCCCCCCCCCCCSC(C)CC(c1cc(CCCC)c(O)cc1C)c1cc(CCCC)c(O)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 10/20 0.38
CYSLTR1 Q9Y271 10/20 0.38
TYR P14679 3/20 0.37
TP53 P04637 2/20 0.37
ALOX15 P16050 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX5 P09917 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRPV1 Q8NER1 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTPN1 P18031 1/20 0.33
SOAT2 O75908 1/20 0.33
ACAT1 P24752 1/20 0.33

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
SCHEMBL78066 0.82 ALOX15 (0.56) CYSLTR2CYSLTR1TP53ALOX15CYP3A4
SCHEMBL11299586 0.82 ALOX15 (0.56) CYSLTR2CYSLTR1TP53ALOX15CYP3A4
SCHEMBL29357967 0.82 ALOX15 (0.56) CYSLTR2CYSLTR1TP53ALOX15CYP3A4
SCHEMBL11304480 0.82 ALOX15 (0.56) CYSLTR2CYSLTR1TP53ALOX15CYP3A4
SCHEMBL11298009 0.82 ALOX15 (0.56) CYSLTR2CYSLTR1TP53ALOX15CYP3A4
SCHEMBL578544 0.80 TYR (0.41) TYRTP53ALOX15MEN1CYP3A4
SCHEMBL31092269 0.80 TYR (0.41) TYRTP53ALOX15MEN1CYP3A4
SCHEMBL28624472 0.79 TP53 (0.47) CYSLTR2CYSLTR1TYRTP53ALOX15
SCHEMBL27934852 0.79 TRPV1 (0.40) CYSLTR2CYSLTR1TYRTP53ALOX15
SCHEMBL8910111 0.78 TP53 (0.52) TP53ALOX15CYP3A4TSHRTDP1

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-0547089-A1 POLYOLEFIN MOULDING MATERIAL FOR THE PRODUCTION OF CALENDERED SHEET HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-23 EP disclosed
WO-1992004403-A1 POLYOLEFIN MOULDING MATERIAL FOR THE PRODUCTION OF CALENDERED SHEET HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-19 WO disclosed