SCHEMBL6047540

SCHEMBL6047540

CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2[Zr](C1=CC=CC1)=C(c1ccc2ccccc2c1)c1ccc2ccccc2c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
ENPP1 P22413 1/20 0.31
PPARD Q03181 1/20 0.30
NR1H4 Q96RI1 1/20 0.30

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
Hydrochloric Acid SCHEMBL813209 0.99 CES2 (0.30) CES2CES1ENPP1PPARDNR1H4
Hydrochloric Acid SCHEMBL812099 0.91 CES2 (0.30) CES2CES1ENPP1
SCHEMBL2801654 0.88 KCNK9 (0.32)
SCHEMBL6226723 0.88
Hydrochloric Acid SCHEMBL812258 0.87 KCNK9 (0.32)
Hydrochloric Acid SCHEMBL811664 0.87
SCHEMBL6047483 0.86 CES2 (0.31) CES2CES1
Hydrochloric Acid SCHEMBL812775 0.85 CES2 (0.31) CES2CES1
SCHEMBL2861724 0.85 NPC1 (0.32)
Hydrochloric Acid SCHEMBL812190 0.84

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
EP-1661921-A1 Synthetic lubricating oil and lubricating oil composition thereof Mitsui Chemicals, Inc. (JP) 2006-05-31 EP disclosed