SCHEMBL21706895

SCHEMBL21706895

CCCCC[C@H]1CC[C@H](CC(=O)OCC)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.40
NAAA Q02083 2/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38

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
SCHEMBL7527425 0.95 PKM (0.40) PKMHTTMEN1KMT2ACYP1A2
SCHEMBL14473403 0.87 MGAM (0.41) MEN1KMT2ACYP2C9TP53ALDH1A1
SCHEMBL12590379 0.87 MGAM (0.41) MEN1KMT2ACYP2C9TP53ALDH1A1
SCHEMBL10793775 0.86 ALDH1A1 (0.50) PKMHTTMEN1KMT2ACYP1A2
SCHEMBL9261661 0.86 CYP1A2 (0.52) CYP1A2ALDH1A1USP2ALOX15TDP1
SCHEMBL10793779 0.86 ALDH1A1 (0.50) PKMHTTMEN1KMT2ACYP1A2
SCHEMBL2721040 0.85
SCHEMBL19853824 0.84 EPHX2 (0.39) PKMHTTMEN1KMT2ACYP1A2
SCHEMBL9289506 0.83 TLR4 (0.40) MEN1KMT2ACYP2C9TP53ALDH1A1
SCHEMBL7790319 0.82 MGAM (0.40) MEN1KMT2AALDH1A1USP2ALOX15

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
WO-2020030814-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2020-02-13 WO disclosed