SCHEMBL2470646

SCHEMBL2470646

CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)cc(C(C)(C)C)c1O

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.70
CA1 P00915 1/20 0.70
PTGS1 P23219 5/20 0.57
PTGS2 P35354 5/20 0.57
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
TYR P14679 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL11868254 0.86 CA2 (0.57) CA2CA1PTGS1PTGS2ALDH1A1
SCHEMBL11865708 0.83 PTGS1 (0.59) CA2CA1PTGS1PTGS2
SCHEMBL803157 0.83 CA2 (1.00) CA2CA1PTGS1PTGS2ALDH1A1
SCHEMBL29090330 0.79 CA2 (0.59) CA2CA1PTGS1PTGS2ALDH1A1
SCHEMBL9179130 0.78 PTGS1 (0.59) CA2CA1PTGS1PTGS2ALDH1A1
SCHEMBL9177585 0.77 PTGS1 (0.62) CA2CA1PTGS1PTGS2
SCHEMBL9348779 0.75 CA1 (0.53) CA2CA1PTGS1PTGS2CYP1A2
SCHEMBL14002706 0.74 CA2 (0.81) CA2CA1PTGS1PTGS2ALDH1A1
SCHEMBL9312733 0.74 PTGS1 (0.61) CA2CA1PTGS1PTGS2
Butylated Hydroxytoluene SCHEMBL31314972 0.73 SMN1; SMN2 (0.95) CA2CA1PTGS1PTGS2ALDH1A1

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
EP-2371534-B1 Self-adhesive fabric reinforced thermoplastic polyolefin waterproof membrane TANGSHAN DESHENG WATERPROOF MATERIALS CO LTD (CN) 2015-10-21 EP disclosed
EP-2371534-A1 Self-adhesive fabric reinforced thermoplastic polyolefin waterproof membrane Tangshan Desheng Waterproof Materials Co., Ltd. (CN) 2011-10-05 EP disclosed
US-4668727-A Ester substituted benzylhydroxylamines and stabilized polyolefin compositions CIBA-GEIGY CORPORATION (US) 1987-05-26 US disclosed