SCHEMBL18016201

SCHEMBL18016201

COC(=O)c1ccc(C(C)(C)c2ccc(OC)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.75
CA2 P00918 4/20 0.75
MAPT P10636 4/20 0.60
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 2/20 0.58
ALOX15 P16050 2/20 0.58
ALDH1A1 P00352 1/20 0.58
APEX1 P27695 1/20 0.58
MAPK1 P28482 1/20 0.58
RECQL P46063 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
PLK1 P53350 1/20 0.55
NPC1 O15118 4/20 0.54
ELANE P08246 1/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
RAB9A P51151 3/20 0.51

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
SCHEMBL141627 0.94 CA1 (0.66) CA1CA2MAPTKMT2AMEN1
SCHEMBL2890249 0.91 CA1 (0.59) CA1CA2MAPTKMT2AMEN1
Methyl 4-Methoxybenzoate SCHEMBL231243 0.87 CA1 (1.00) CA1CA2MAPTKMT2AMEN1
SCHEMBL22178481 0.85 CA1 (0.53) CA1CA2MAPTKMT2AMEN1
SCHEMBL26028946 0.85 CA1 (0.54) CA1CA2MAPTKMT2AMEN1
Methyl 4-Methoxybenzoate SCHEMBL27405603 0.85 CA1 (0.95) CA1CA2MAPTKMT2AMEN1
SCHEMBL12083830 0.84 MAPT (0.57) CA1CA2MAPTKMT2AMEN1
Terephthalic Acid SCHEMBL8989156 0.84 CA1 (0.74) CA1CA2MAPTKMT2AMEN1
Methyl 4-Methoxybenzoate SCHEMBL28248974 0.83 CA1 (0.91) CA1CA2MAPTKMT2AMEN1
SCHEMBL12532604 0.82 TDP1 (0.61) CA1CA2MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580559-B2 Polydiorganosiloxane-polycarbonate block copolymers SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-02-28 US disclosed
US-20160237218-A1 POLYDIORGANOSILOXANE-POLYCARBONATE BLOCK COPOLYMERS SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2016-08-18 US disclosed