SCHEMBL20041606

SCHEMBL20041606

CCC(O)COCC(O)CN(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTT P42858 2/20 0.39
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
USP2 O75604 1/20 0.35
HTR1A P08908 2/20 0.34
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
ABCB1 P08183 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
SCHEMBL347384 0.91 HIF1A (0.47) HIF1ALMNASMN1; SMN2KDM4EHTT
SCHEMBL18068171 0.88 HIF1A (0.46) HIF1ALMNASMN1; SMN2KDM4EHTT
SCHEMBL15834618 0.84 HIF1A (0.43) HIF1ALMNASMN1; SMN2KDM4EHTT
SCHEMBL14507015 0.84 HSD17B10 (0.56) HIF1ALMNASMN1; SMN2KDM4EHTT
SCHEMBL17373112 0.84 HIF1A (0.43) HIF1ALMNASMN1; SMN2KDM4EHTT
SCHEMBL17269974 0.84 HIF1A (0.43) HIF1ALMNASMN1; SMN2KDM4EHTT
SCHEMBL325805 0.83 KDM4E (0.52) KDM4EHTTHSD17B10HPGDUSP2
SCHEMBL11913778 0.82 USP2 (0.48) HIF1ALMNASMN1; SMN2KDM4EHTT
SCHEMBL10001677 0.81 HSD17B10 (0.46) HIF1ALMNASMN1; SMN2KDM4EHTT
SCHEMBL19616476 0.80

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