SCHEMBL21574083

SCHEMBL21574083

CC1=C(CCC(C)CCO)C(C)(C)CCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TRPA1 O75762 5/20 0.40
RARB P10826 2/20 0.39
RARG P13631 2/20 0.39
RARA P10276 1/20 0.39
RXRA P19793 1/20 0.39
ACE2 Q9BYF1 3/20 0.37
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
ALOX5 P09917 1/20 0.36
ALOX15 P16050 1/20 0.36
ACHE P22303 1/20 0.35

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
SCHEMBL3148661 0.89 MEN1 (0.44) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL11643325 0.84 ALDH1A1 (0.39) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL891527 0.82 ALDH1A1 (0.45) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL18727653 0.82 ALDH1A1 (0.43) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL4304302 0.81 ALDH1A1 (0.49) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL8776387 0.81 RARB (0.44) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL9213310 0.81 RARB (0.39) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL3414622 0.79 RARB (0.41) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL15082353 0.79 RARB (0.41) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL12880518 0.79 PTPN1 (0.48) MEN1KMT2ALMNAALDH1A1GAA

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-3224229-B1 PROCESS OF PRODUCTION OF 7,8-DIHYDRO-C15-ALDEHYDE DSM IP ASSETS BV (NL) 2019-11-20 EP disclosed