SCHEMBL14344239

SCHEMBL14344239

CC1CCCCCCCCCCCCC(=O)C1.C[C@@H]1CCCCCCCCCCCCC(=O)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
CA1 P00915 2/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
TRIM24 O15164 2/20 0.46
TRIM33 Q9UPN9 2/20 0.46
ALDH1A1 P00352 2/20 0.46
THRB P10828 1/20 0.35
TLR4 O00206 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
CRBN Q96SW2 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
LMNA P02545 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL11812189 1.00 KMT2A (0.54) KMT2ACA1CA2CA4TRIM24
SCHEMBL2196645 1.00 KMT2A (0.54) KMT2ACA1CA2CA4TRIM24
SCHEMBL14118250 1.00 KMT2A (0.54) KMT2ACA1CA2CA4TRIM24
SCHEMBL14118041 1.00 KMT2A (0.54) KMT2ACA1CA2CA4TRIM24
SCHEMBL230871 1.00 KMT2A (0.54) KMT2ACA1CA2CA4TRIM24
SCHEMBL316736 1.00 KMT2A (0.54) KMT2ACA1CA2CA4TRIM24
SCHEMBL24304032 1.00 KMT2A (0.54) KMT2ACA1CA2CA4TRIM24
SCHEMBL1870048 1.00 KMT2A (0.54) KMT2ACA1CA2CA4TRIM24
SCHEMBL7739757 1.00 KMT2A (0.54) KMT2ACA1CA2CA4TRIM24
SCHEMBL5421215 1.00 KMT2A (0.54) KMT2ACA1CA2CA4TRIM24

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-1884509-B1 OPTICALLY ACTIVE 3-METHYLCYCLOPENTADECANONE AND METHOD FOR PRODUCING INTERMEDIATE THEREOF TAKASAGO PERFUMERY CO LTD (JP) 2013-01-02 EP claimed