SCHEMBL11034893

SCHEMBL11034893

C=Cc1cc(C)ccc1C.C=Cc1ccc(C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.41
PTGS2 P35354 2/20 0.41
TYR P14679 1/20 0.39
ALOX5 P09917 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 1/20 0.38
TRPA1 O75762 1/20 0.37
CACNA1C Q13936 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 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
SCHEMBL9366859 0.86 TDP1 (0.45) PTGS1PTGS2ALOX5TDP1LMNA
SCHEMBL30322428 0.81 LMNA (0.52) PTGS1PTGS2TYRLMNATRPA1
SCHEMBL7122025 0.81 LMNA (0.52) PTGS1PTGS2TYRLMNATRPA1
SCHEMBL29392003 0.80 ALOX5 (0.47) PTGS1PTGS2ALOX5TDP1LMNA
SCHEMBL87447 0.80 ALOX5 (0.47) PTGS1PTGS2ALOX5TDP1LMNA
SCHEMBL367595 0.78 TYR (0.58) PTGS1PTGS2TYRTDP1ALDH1A1
SCHEMBL9719103 0.77 TSHR (0.44) PTGS1PTGS2ALOX5TDP1LMNA
SCHEMBL8527619 0.77 RELA (0.49) PTGS1PTGS2ALOX5TDP1LMNA
Methane SCHEMBL11025053 0.76 TYR (0.56) PTGS1PTGS2TYRTDP1ALDH1A1
P-Cymene SCHEMBL27803556 0.75 ALDH1A1 (0.44) PTGS1PTGS2TYRTDP1LMNA

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
EP-0096987-B1 HYDROFORMYLATION PROCESS DAVY McKEE (LONDON) LIMITED (GB) 1985-11-13 EP disclosed