SCHEMBL8201032

SCHEMBL8201032

CC1CCCCCCCCCCCCC(=O)C1.CCCC1CCC(C)CC1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.30
CYP2D6 P10635 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
SCHEMBL443868 0.84 TLR4 (0.33) NPC1RAB9A
SCHEMBL1870048 0.79 KMT2A (0.54) KMT2ACA1CA2CA4NOS3
SCHEMBL14344239 0.79 KMT2A (0.54) KMT2ACA1CA2CA4NOS3
SCHEMBL11812189 0.79 KMT2A (0.54) KMT2ACA1CA2CA4NOS3
SCHEMBL316736 0.79 KMT2A (0.54) KMT2ACA1CA2CA4NOS3
SCHEMBL24304032 0.79 KMT2A (0.54) KMT2ACA1CA2CA4NOS3
SCHEMBL230871 0.79 KMT2A (0.54) KMT2ACA1CA2CA4NOS3
SCHEMBL2196645 0.79 KMT2A (0.54) KMT2ACA1CA2CA4NOS3
SCHEMBL7739757 0.79 KMT2A (0.54) KMT2ACA1CA2CA4NOS3
SCHEMBL14118041 0.79 KMT2A (0.54) KMT2ACA1CA2CA4NOS3

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
EP-1053223-A1 SERINE CARBONATES Givaudan SA (CH) 2000-11-22 EP disclosed
WO-2000034232-A1 SERINE CARBONATES GIVAUDAN SA (CH) 2000-06-15 WO disclosed