SCHEMBL7596112

SCHEMBL7596112

CC(C)(C)c1ccc(C(C)(C)C)c(O[Zr](Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 4/20 0.33
LMNA P02545 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
CYP2D6 P10635 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
APEX1 P27695 1/20 0.32
NPC1 O15118 2/20 0.32

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
SCHEMBL12772068 0.71 MRGPRX4 (0.52) ALOX5APMRGPRX4RAB9ARXRARXRB
SCHEMBL28018420 0.70 CYP2C19 (0.42) CYP2C19CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL28857734 0.69 CA1 (0.44) CYP2C19CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL2957161 0.68 HPGD (0.48) CYP3A4LMNACA1CA2CA9
SCHEMBL16544525 0.68 HTR2C (0.48) ALOX5APMRGPRX4RAB9ARXRARXRB
SCHEMBL22276350 0.67 ALDH1A1 (0.43) CYP2C19CYP1A2CYP2C9CA1CA2
SCHEMBL19483249 0.67 MRGPRX4 (0.55) MRGPRX4RAB9ALMNARXRARXRB
SCHEMBL1425174 0.66 CYP2C19 (0.41) MRGPRX4CYP2C19RAB9ALMNARXRA
SCHEMBL9862502 0.66 MAPT (0.37) CYP2C19CYP1A2TSHRRAB9ARXRA
SCHEMBL7648932 0.66 MAPT (0.37) CYP2C19CYP1A2TSHRRAB9ARXRA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020103315-A1 Catalyst composition for the polymerization of olefins PETERSON THOMAS H (US) 2002-08-01 US disclosed
EP-1115760-A1 MONOCYCLOPENTADIENYL METAL CATALYST COMPOSITION FOR THE POLYMERIZATION OF OLEFINS Univation Technologies LLC (US) 2001-07-18 EP disclosed
WO-2000015676-A1 MONOCYCLOPENTADIENYL METAL CATALYST COMPOSITION FOR THE POLYMERIZATION OF OLEFINS UNIVATION TECHNOLOGIES, LLC (US) 2000-03-23 WO disclosed