SCHEMBL20041604

SCHEMBL20041604

CC[C@@H](O)COCCN(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
USP2 O75604 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRM3 P20309 1/20 0.34
CHRNA4 P43681 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
LPAR5 Q9H1C0 1/20 0.33
DNM1 Q05193 1/20 0.32
LMNA P02545 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
SCHEMBL7204254 1.00 HSD17B10 (0.41) HSD17B10USP2CA12CA1CA2
SCHEMBL7531837 0.89 HSD17B10 (0.41) HSD17B10USP2CA12CA1CA2
SCHEMBL9650343 0.88 USP2 (0.44) HSD17B10USP2HTTTDP1KDM4E
SCHEMBL19577727 0.85 HSD17B10 (0.40) HSD17B10USP2CA12CA1CA2
SCHEMBL8066287 0.84 CA12 (0.47) HSD17B10USP2CA12CA1CA2
SCHEMBL4249632 0.83 USP2 (0.52) HSD17B10USP2CA12CA1CA2
SCHEMBL10884401 0.83 HSD17B10 (0.41) HSD17B10USP2CA12CA1CA2
SCHEMBL13108263 0.81 HSD17B10 (0.52) HSD17B10USP2HTTTDP1KDM4E
SCHEMBL17261675 0.81 CA1 (0.36) HSD17B10USP2CA12CA1CA2
SCHEMBL18560978 0.80 HSD17B10 (0.41) HSD17B10USP2HTTTDP1KDM4E

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-3142772-B1 ABSORBENT SOLUTION BASED ON BETA-HYDROXYLATED TERTIARY DIAMINES AND PROCESS FOR ELIMINATING ACID COMPOUNDS FROM A GASEOUS EFFLUENT IFP ENERGIES NOW (FR) 2018-04-11 EP disclosed