SCHEMBL13223751

SCHEMBL13223751

CC(C)(C)c1ccc(OP(=O)(Oc2ccccc2C(C)(C)C)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.41
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 1/20 0.37
PLA2G1B P04054 1/20 0.37
NFKB1 P19838 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL29355190 0.92 CA1 (0.42) APEX1CA1CA2CA9ATM
SCHEMBL82774 0.92 CA1 (0.42) APEX1CA1CA2CA9ATM
SCHEMBL12533232 0.88 APEX1 (0.39) APEX1CA1CA2CA9TDP1
SCHEMBL1552049 0.88 APEX1 (0.39) APEX1CA1CA2CA9TDP1
SCHEMBL30611835 0.88 APEX1 (0.39) APEX1CA1CA2CA9TDP1
Phosphoric Acid SCHEMBL31374284 0.87 APEX1 (0.40) APEX1CA1CA2CA9TDP1
SCHEMBL29405225 0.87 TDP1 (0.45) ATMTDP1ALDH1A1NPSR1NAMPT
SCHEMBL190944 0.87 TDP1 (0.45) ATMTDP1ALDH1A1NPSR1NAMPT
SCHEMBL16859696 0.86 CYP3A4 (0.43) APEX1CA1CA2CA9ATM
SCHEMBL15288906 0.86 APEX1 (0.39) APEX1CA1CA2CA9TDP1

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-7786199-B2 Flame-retardants CIBA SPECIALTY CHEMICALS CORP. (US) 2010-08-31 US disclosed
US-7786199-B2 Flame-retardants CIBA SPECIALTY CHEMICALS CORP. (US) 2010-08-31 US disclosed
US-20080269383-A1 Flame-Retardants CIBA SPECIALTY CEMICALS HOLDING INC. (CH) 2008-10-30 US disclosed
US-20080269383-A1 Flame-Retardants CIBA SPECIALTY CEMICALS HOLDING INC. (CH) 2008-10-30 US disclosed