SCHEMBL2701190

SCHEMBL2701190

Cc1cc(C(C)(C)C)c(OC(c2cc(C(C)(C)C)c(C)cc2C(C)(C)C)C(CO)(CO)CO)cc1C(C)(C)C.OP(O)O.OP(O)O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL3469993 0.96 TP53 (0.33) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL1075009 0.92
SCHEMBL2701189 0.89
SCHEMBL6702399 0.88 TP53 (0.30) TP53CYP2D6CYP2C9ALOX15CYP2C19
Pyrophosphoric Acid SCHEMBL28484906 0.87
SCHEMBL7107603 0.86 LMNA (0.34) TP53ALOX15
SCHEMBL1075008 0.82
SCHEMBL28929215 0.78 USP2 (0.36) TP53
SCHEMBL9355933 0.76
SCHEMBL190993 0.75 TRPV1 (0.34) CYP2C9ALOX15CYP2C19

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-2450388-A1 POLYLACTIC ACID RESIN, METHOD FOR PRODUCING POLYLACTIC ACID RESIN, POLYLACTIC ACID RESIN COMPOSITION, STEREOCOMPLEX POLYLACTIC ACID RESIN COMPOSITION, AND METHOD FOR PRODUCING STEREOCOMPLEX POLYLACTIC ACID RESIN COMPOSITION Mitsui Chemicals, Inc. (JP) 2012-05-09 EP disclosed