SCHEMBL5568321

SCHEMBL5568321

C=C(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.50
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
C1S P09871 1/20 0.48
PRSS3 P35030 1/20 0.48
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.40
HCAR1 Q9BXC0 1/20 0.37
HPGD P15428 1/20 0.37
ACHE P22303 2/20 0.36
SELL P14151 1/20 0.36
SELP P16109 1/20 0.36
SELE P16581 1/20 0.36
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
GFER P55789 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34

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
SCHEMBL27969098 0.85 MEN1 (0.50) TPMTPRSS1PRSS2C1SPRSS3
SCHEMBL15455493 0.82 TPMT (0.37) TPMTPRSS1PRSS2C1SPRSS3
SCHEMBL716226 0.79 TPMT (0.48) TPMTPRSS1PRSS2C1SPRSS3
SCHEMBL22708284 0.78 PRSS1 (0.41) TPMTPRSS1PRSS2C1SPRSS3
SCHEMBL17424935 0.77 TPMT (0.46) TPMTPRSS1PRSS2C1SPRSS3
SCHEMBL9071444 0.77 PRSS1 (0.56) TPMTPRSS1PRSS2C1SPRSS3
SCHEMBL9419478 0.77 TPMT (0.46) TPMTPRSS1PRSS2C1SPRSS3
SCHEMBL28417343 0.73 TPMT (0.55) TPMTPRSS1PRSS2C1SPRSS3
SCHEMBL16795838 0.73 TPMT (0.42) TPMTPRSS1PRSS2C1SPRSS3
SCHEMBL1793374 0.73 PARP1 (0.56) HPGDACHE

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-1753773-A1 TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION ExxonMobil Chemical Patents Inc. (US) 2007-02-21 EP claimed
WO-2005118605-A1 TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2005-12-15 WO claimed