SCHEMBL21394872

SCHEMBL21394872

N#Cc1cccc(CC(Cl)C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.48
FOLH1 Q04609 1/20 0.47
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
CNR1 P21554 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
MEP1A Q16819 1/20 0.40
MEP1B Q16820 1/20 0.40
DPP7 Q9UHL4 3/20 0.40
DPP4 P27487 2/20 0.40
FAP Q12884 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
PIN1 Q13526 1/20 0.39
VNN1 O95497 2/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL3393182 0.81 GLA (0.48) GLAFOLH1SLC6A2SLC6A4CNR1
SCHEMBL3392965 0.81 GLA (0.48) GLAFOLH1SLC6A2SLC6A4CNR1
SCHEMBL4006758 0.80 LOXL2 (0.44) DPP4CYP19A1CYP11B1CYP11B2
SCHEMBL29869064 0.76 PNMT (0.55) SLC6A2SLC6A4ALDH1A1
SCHEMBL11568409 0.76 PNMT (0.55) SLC6A2SLC6A4ALDH1A1
SCHEMBL30646949 0.75 GLA (0.51) GLAFOLH1MRGPRX4MEP1AMEP1B
SCHEMBL253203 0.75 GLA (0.51) GLAFOLH1MRGPRX4MEP1AMEP1B
SCHEMBL21395003 0.75 SLC1A1 (0.46) ALDH1A1
SCHEMBL27659905 0.74 GLA (0.50) GLAFOLH1SLC6A2SLC6A4MRGPRX4
SCHEMBL2660512 0.74 GLA (0.58) GLAFOLH1SLC6A2SLC6A4MRGPRX4

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
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed