SCHEMBL5084803

SCHEMBL5084803

CC1=Cc2c(cccc2-c2ccccc2)[C]1C[C]1C(C)=Cc2c1cccc2-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.42
PDCD1 Q15116 1/20 0.42
DPP4 P27487 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2A6 P11509 2/20 0.33
HPGD P15428 1/20 0.33
BCL2L1 Q07817 1/20 0.33
CYP2B6 P20813 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
HTR7 P34969 2/20 0.32
PTGS2 P35354 1/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
ESR2 Q92731 1/20 0.32
HNF4A P41235 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
SCHEMBL4623134 0.89 PDCD1 (0.42) CD274PDCD1DPP4ALDH1A1HSD17B10
SCHEMBL27724373 0.76 ALDH1A1 (0.52) CD274PDCD1ALDH1A1HSD17B10HPGD
SCHEMBL4620488 0.71 PDCD1 (0.36) CD274PDCD1DPP4ALDH1A1HSD17B10
SCHEMBL497684 0.71 PDCD1 (0.33) CD274PDCD1CYP2A6
SCHEMBL5078335 0.70 LMNA (0.35) ALDH1A1HPGDMAPK1ADORA3
SCHEMBL7597089 0.67 ALDH1A1 (0.38) ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL25785668 0.65 PDCD1 (0.64) CD274PDCD1ALDH1A1HSD17B10CYP2A6
SCHEMBL60836 0.64 PDCD1 (0.39) CD274PDCD1DPP4ALDH1A1HSD17B10
SCHEMBL1827132 0.64 PDCD1 (0.39) CD274PDCD1DPP4ALDH1A1HSD17B10
SCHEMBL2048988 0.64 ALDH1A1 (0.46) CD274PDCD1DPP4ALDH1A1HSD17B10

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
EP-1954724-A1 SYNDIOTACTIC PROPYLENE ELASTOMERS ExxonMobil Chemical Patents Inc. (US) 2008-08-13 EP disclosed
WO-2007061525-A1 SYNDIOTACTIC PROPYLENE ELASTOMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-31 WO disclosed