SCHEMBL26313504

SCHEMBL26313504

CCCCCCc1c(C)cc(CCCCC)cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
PTGS2 P35354 4/20 0.44
CYP3A4 P08684 2/20 0.42
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GPR84 Q9NQS5 1/20 0.38
SKP2 Q13309 1/20 0.38
MAPT P10636 1/20 0.37
ESR1 P03372 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37

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
SCHEMBL19254696 0.80 HSD17B10 (0.53) HSD17B10TSHRPTGS2CYP3A4SKP2
SCHEMBL24508170 0.76 PPARG (0.64) CNR1CNR2SLC6A2SLC6A4SLC6A3
SCHEMBL17818519 0.76 HSD17B10 (0.56) HSD17B10TSHRPTGS2CYP3A4HPGD
SCHEMBL6513061 0.76 HSD17B10 (0.56) HSD17B10TSHRPTGS2CYP3A4HPGD
SCHEMBL25698390 0.76 HSD17B10 (0.56) HSD17B10TSHRPTGS2CYP3A4HPGD
SCHEMBL27614083 0.74 PTGS2 (0.57) HSD17B10PTGS2CYP3A4NPC1HPGD
SCHEMBL28826019 0.74 HSD17B10 (0.53) HSD17B10TSHRPTGS2CYP3A4HPGD
SCHEMBL18923563 0.73 HSD17B10 (0.53) HSD17B10TSHRPTGS2CYP3A4ESR1
SCHEMBL3914612 0.72 SKP2 (0.56) HSD17B10TSHRCYP3A4NPC1HPGD
SCHEMBL11422307 0.72 KAT8 (0.55) HSD17B10TSHRPTGS2CYP3A4ESR1

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-2023177618-A1 PSEUDOMONAS CHLORORAPHIS SPECIES AND ITS USE IN THE CONTROL OF FISH DISEASES CAUSED BY BACTERIA AND FUNGI T3 Bioscience, LLC (US) 2023-09-21 WO disclosed