SCHEMBL16993434

SCHEMBL16993434

C(OCC1CO1)C1CO1.c1ccc(COCC2CO2)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
TSHR P16473 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MGLL Q99685 2/20 0.46
HRH4 Q9H3N8 4/20 0.46
HRH3 Q9Y5N1 4/20 0.46
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
DRD1 P21728 1/20 0.44

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
SCHEMBL715660 0.98 LMNA (0.57) LMNATDP1TSHRTAAR1MEN1
SCHEMBL153049 0.98 LMNA (0.57) LMNATDP1TSHRTAAR1MEN1
SCHEMBL306297 0.98 LMNA (0.57) LMNATDP1TSHRTAAR1MEN1
Water SCHEMBL8913477 0.96 LMNA (0.55) LMNATDP1TSHRTAAR1MEN1
Ammonia Solution, Strong SCHEMBL28849284 0.96 LMNA (0.55) LMNATDP1TSHRTAAR1MEN1
Ethylene SCHEMBL27465209 0.94 LMNA (0.54) LMNATDP1TSHRTAAR1MEN1
Methyl Alcohol SCHEMBL7344184 0.93 LMNA (0.53) LMNATDP1TSHRTAAR1MEN1
Methyl Alcohol SCHEMBL2110245 0.93 LMNA (0.53) LMNATDP1TSHRTAAR1MEN1
Formaldehyde SCHEMBL28169267 0.93 LMNA (0.56) LMNATDP1TSHRTAAR1MEN1
SCHEMBL471843 0.89 TDP1 (0.50) LMNATDP1TSHRTAAR1MEN1

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-3102327-A1 CATALYST Imperial Innovations Ltd (GB) 2016-12-14 EP disclosed
WO-2015118100-A1 CATALYST IMPERIAL INNOVATIONS LIMITED (GB) 2015-08-13 WO disclosed