SCHEMBL11207700

SCHEMBL11207700

CCc1c(CCc2ccccc2)cccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
SLC5A2 P31639 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
FOLH1 Q04609 1/20 0.41
DPP4 P27487 1/20 0.40
IDO1 P14902 1/20 0.40
IDO2 Q6ZQW0 1/20 0.40
PPARA Q07869 2/20 0.39
TP53 P04637 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR7 P34969 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL11207750 0.86 TP53 (0.39) HTTSLC5A2NR1H2NR1H3PPARA
SCHEMBL2991635 0.84 SLC5A2 (0.48) PDCD1CD274SLC5A2FOLH1DPP4
SCHEMBL473270 0.83 PDCD1 (0.50) PDCD1CD274SLC5A2FOLH1DPP4
SCHEMBL11382363 0.82 PDCD1 (0.48) PDCD1CD274SLC5A2FOLH1DPP4
Ammonia Solution, Strong SCHEMBL27966639 0.82 PDCD1 (0.48) PDCD1CD274SLC5A2FOLH1DPP4
SCHEMBL27618792 0.82 PDCD1 (0.48) PDCD1CD274SLC5A2FOLH1DPP4
SCHEMBL6548127 0.82 HTT (0.51) HTTNR1H2NR1H3TP53HTR1A
Water SCHEMBL27696696 0.82 PDCD1 (0.48) PDCD1CD274SLC5A2FOLH1DPP4
Ethane SCHEMBL3687852 0.82 PDCD1 (0.48) PDCD1CD274SLC5A2FOLH1DPP4
SCHEMBL10990160 0.80 PDCD1 (0.61) PDCD1CD274SLC5A2FOLH1DPP4

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
US-4371726-A Composition suitable for mechanical power transmission and process for operating traction drives NIPPON STEEL CHEMICAL CO., LTD. (JP) 1983-02-01 US disclosed