SCHEMBL8894675

SCHEMBL8894675

CC(C)(C)OOOC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.49
MAPT P10636 7/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
HPGD P15428 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42

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
Hydrogen Peroxide SCHEMBL10360982 0.89 SMN1; SMN2 (0.53) NR1H4MAPTKMT2ASMN1; SMN2TSHR
SCHEMBL28924800 0.85 SMN1; SMN2 (0.59) NR1H4MAPTKMT2ASMN1; SMN2TSHR
Tert-Butyl Hydroperoxide SCHEMBL10360985 0.84 NR1H4 (0.51) NR1H4MAPTKMT2ASMN1; SMN2TSHR
SCHEMBL15385 0.81 SMN1; SMN2 (0.63) NR1H4MAPTKMT2ASMN1; SMN2TSHR
SCHEMBL11413929 0.81 ALDH1A1 (0.46) MAPTKMT2ASMN1; SMN2TSHRCYP1A2
SCHEMBL28999769 0.80 TSHR (0.63) NR1H4MAPTKMT2ASMN1; SMN2TSHR
SCHEMBL3843873 0.80 NR1H4 (0.54) NR1H4MAPTKMT2ASMN1; SMN2TSHR
Tert-Butyl Hydroperoxide SCHEMBL10360983 0.78 NR1H4 (0.51) NR1H4MAPTKMT2ASMN1; SMN2TSHR
SCHEMBL11683945 0.77 ALDH1A1 (0.42) TSHRALDH1A1TDP1
SCHEMBL9489957 0.77 SMN1; SMN2 (0.53) NR1H4MAPTKMT2ASMN1; SMN2TSHR

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-0776945-A2 Radiation-curable coating composition useful for protecting electronic circuitry and method of curing the same Dow Corning Toray Silicone Company, Limited (JP) 1997-06-04 EP disclosed
US-4921926-A SILICONE RUBBERS, BLENDS TOSHIBA SILICONE CO., LTD. (JP) 1990-05-01 US disclosed
US-4451634-A PEROXYESTER, VINYLHYDROGENPOLYSILOXANE GENERAL ELECTRIC COMPANY (US) 1984-05-29 US disclosed