SCHEMBL5073993

SCHEMBL5073993

CC(C)(C)c1ccc(OP(Oc2ccccc2)c2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.36
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CYP2C19 P33261 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PLA2G1B P04054 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
ATG4B Q9Y4P1 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
SCHEMBL2187400 0.90 CA1 (0.37) APEX1CA1CA2CA9CYP2C19
SCHEMBL30491175 0.85 APEX1 (0.38) APEX1CA1CA2CA9CYP2C19
SCHEMBL6165769 0.85 APEX1 (0.38) APEX1CA1CA2CA9CYP2C19
SCHEMBL9240542 0.85 APEX1 (0.38) APEX1CA1CA2CA9CYP2C19
SCHEMBL6742007 0.81 NPC1 (0.39) APEX1CA1CA2CA9CYP2C19
SCHEMBL28597336 0.81 RXRA (0.37) APEX1CA1CA2CA9CYP2C9
SCHEMBL31556870 0.81 APEX1 (0.39) APEX1CA1CA2CA9CYP2C19
SCHEMBL7115234 0.81 APEX1 (0.39) APEX1CA1CA2CA9CYP2C19
SCHEMBL7065411 0.80 L3MBTL1 (0.32) APEX1CYP2C19L3MBTL1MAPTTDP1
SCHEMBL11293795 0.80 APEX1 (0.42) APEX1CA1CA2CA9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080217821-A1 Welding Method by Means of Electromagnetic Radiation EVONIK DEGUSSA GMBH (DE) 2008-09-11 US disclosed
US-6569587-B2 Contains phthalocyanine dimer as photoconductive material; voltage retention FUJI ELECTRIC IMAGING CO., LTD. (JP) 2003-05-27 US disclosed
US-6479572-B1 Thermoplastic molding materials stable to thermal oxidation BASF AKTIENGESELLSCHAFT (DE) 2002-11-12 US disclosed
US-20010031409-A1 Photosensitive body for electrophotography and manufacturing method for the same FUJI ELECTRIC CO., LTD. (JP) 2001-10-18 US disclosed