SCHEMBL547241

SCHEMBL547241

C=Cc1ccccc1C(=O)CCCCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
HSD17B3 P37058 6/20 0.45
TSHR P16473 2/20 0.44
CES2 O00748 2/20 0.44
LMNA P02545 1/20 0.44
CES1 P23141 1/20 0.44
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL10954033 1.00 HTT (0.47) HTTALDH1A1MEN1MAPTKMT2A
SCHEMBL11005487 0.93 SOAT2 (0.51) ALDH1A1TSHRLMNACES1CYP3A4
SCHEMBL9152393 0.93 SOAT2 (0.51) ALDH1A1TSHRLMNACES1CYP3A4
SCHEMBL19971521 0.87 ALDH1A1 (0.46) ALDH1A1MEN1MAPTKMT2AHSD17B3
SCHEMBL10871877 0.86 HTT (0.49) HTTALDH1A1MEN1MAPTKMT2A
SCHEMBL13990162 0.86 HTT (0.49) HTTALDH1A1MEN1MAPTKMT2A
SCHEMBL10872266 0.84 HTT (0.47) HTTALDH1A1MEN1MAPTKMT2A
SCHEMBL27741401 0.82 HTT (0.49) HTTALDH1A1MEN1MAPTKMT2A
SCHEMBL28164857 0.81 FAAH (0.48) ALDH1A1TSHRLMNACES1CYP3A4
SCHEMBL9715778 0.81 LMNA (0.37) HTTALDH1A1TSHRCES2LMNA

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
US-20120103787-A1 Photochemical Method For Producing Hydrocarbons NECKERS DOUGLAS C (US) 2012-05-03 US disclosed
US-8110074-B1 Photochemical method for producing hydrocarbons NECKERS DOUGLAS C (US) 2012-02-07 US disclosed