SCHEMBL9013100

SCHEMBL9013100

CCCCCCOC(=O)C(O[C]=O)C(C)CCC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
HCAR2 Q8TDS4 2/20 0.41
EPHX1 P07099 1/20 0.41
TSHR P16473 3/20 0.40
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
RAD52 P43351 1/20 0.38
FAAH O00519 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ACHE P22303 3/20 0.37

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
SCHEMBL5872641 0.85 NAAA (0.43) NAAAHCAR2EPHX1TSHRMAPT
SCHEMBL9460966 0.82 NAAA (0.41) NAAAHCAR2EPHX1TSHRMAPT
SCHEMBL4339709 0.81 NAAA (0.46) NAAAHCAR2EPHX1TSHRMAPT
SCHEMBL6161479 0.80 NAAA (0.48) NAAAHCAR2EPHX1TSHRNPSR1
SCHEMBL4203836 0.80 ALDH1A1 (0.48) NAAAHCAR2EPHX1TSHRMAPT
SCHEMBL9453048 0.80 NAAA (0.48) NAAAHCAR2EPHX1TSHRNPSR1
SCHEMBL9586962 0.79 NAAA (0.43) NAAAHCAR2EPHX1TSHRMAPT
SCHEMBL6388508 0.78 NAAA (0.46) NAAAHCAR2EPHX1TSHRMAPT
SCHEMBL11777423 0.78 NAAA (0.46) NAAAHCAR2EPHX1TSHRMAPT
SCHEMBL6834545 0.78 NAAA (0.46) NAAAHCAR2EPHX1TSHRMAPT

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-5487770-A DETECTING AZO DYE MARKED MINERAL OILS BY TREATING WITH EXTRACTANT CONTAINING WATER, SOLVENT, BASE TO TRANSFER DYE INTO AQUEOUS PHASE BASF AKTIENGESELLSCHAFT (DE) 1996-01-30 US disclosed