SCHEMBL11260334

SCHEMBL11260334

CC(C=CO)CC1CCCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 9/20 0.40
▸ PTGS2 P35354 9/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CA1 P00915 4/20 0.38
▸ CA2 P00918 4/20 0.38
▸ CA4 P22748 4/20 0.38
▸ CA6 P23280 3/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 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
SCHEMBL9943495 0.81 CA1 (0.39) PTGS1PTGS2KMT2AOPRK1HTT
SCHEMBL918474 0.77 CA1 (0.45) PTGS1PTGS2KMT2AOPRK1HTT
SCHEMBL20165714 0.77 CA1 (0.45) PTGS1PTGS2KMT2AOPRK1HTT
SCHEMBL8469932 0.77 CA1 (0.43) PTGS1PTGS2KMT2AOPRK1HTT
SCHEMBL3823777 0.76 CA1 (0.45) PTGS1PTGS2KMT2AOPRK1HTT
SCHEMBL11904307 0.76 CA1 (0.41) PTGS1PTGS2KMT2AOPRK1HTT
SCHEMBL27899500 0.75 KMT2A (0.47) PTGS1PTGS2KMT2AOPRK1HTT
SCHEMBL3731600 0.75 KMT2A (0.47) PTGS1PTGS2KMT2AOPRK1HTT
SCHEMBL10818954 0.75 KMT2A (0.47) PTGS1PTGS2KMT2AOPRK1HTT
SCHEMBL8469486 0.74 PTGS1 (0.43) PTGS1PTGS2KMT2AOPRK1HTT

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-4313007-A ENHANCING ORGANOLEPTIC PROPERTIES OF TOBACCO GIVAUDAN CORPORATION (US) 1982-01-26 — — US claimed
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