SCHEMBL5821158

SCHEMBL5821158

O=C1CCCCCCCCCCCCC2OC12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
MCL1 Q07820 1/20 0.36
MT-CO2 P00403 3/20 0.36
ALOX5 P09917 3/20 0.36
MAPT P10636 2/20 0.35
CA6 P23280 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
SLC18A3 Q16572 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6232445 1.00 KMT2A (0.46) KMT2ACA1CA2CA4MCL1
SCHEMBL12916477 0.98
SCHEMBL10406511 0.98
SCHEMBL12916456 0.91
SCHEMBL588742 0.91
Water SCHEMBL8956941 0.88 CA1 (0.34) KMT2ACA1CA2CA4MT-CO2
Ethylene SCHEMBL11083381 0.86 CA1 (0.33) KMT2ACA1CA2CA4MT-CO2
SCHEMBL1505757 0.80
SCHEMBL12916480 0.80
Cyclopentanone SCHEMBL9743238 0.80 TRIM24 (0.43) KMT2ACA1CA2CA4ALDH1A1

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-2957597-A1 CONDUCTIVE COMPOSITION, CONDUCTIVE COMPOSITION PRODUCTION METHOD, ANTI-STATIC RESIN COMPOSITION AND ANTISTATIC RESIN FILM Shin-Etsu Polymer Co. Ltd. (JP) 2015-12-23 EP disclosed
JP-2006117585-A NEW FRAGRANT MATERIAL AND UTILIZATION THEREOF TOYOTAMA KORYO KK 2006-05-11 JP disclosed