SCHEMBL9745149

SCHEMBL9745149

CC(C)(OOC(=O)c1ccccc1)c1ccc(C(C)(C)OOC(=O)c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.70
TSHR P16473 4/20 0.70
ALDH1A1 P00352 3/20 0.70
HSD17B10 Q99714 1/20 0.70
LMNA P02545 2/20 0.57
F2 P00734 1/20 0.57
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPK1 P28482 2/20 0.52
TNF P01375 1/20 0.46
KLF5 Q13887 1/20 0.46
NOD1 Q9Y239 1/20 0.46
ALOX15 P16050 1/20 0.44
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
HIF1A Q16665 1/20 0.43
CYP2D6 P10635 2/20 0.41
CES1 P23141 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL6659565 0.96 TDP1 (0.70) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL11375636 0.93 ALDH1A1 (0.62) TDP1TSHRALDH1A1HSD17B10LMNA
Butane SCHEMBL28039493 0.90 TDP1 (0.62) TDP1TSHRALDH1A1HSD17B10LMNA
Benzoyl Peroxide SCHEMBL9251240 0.89 TDP1 (0.65) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL11615341 0.88 TDP1 (0.80) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL9745567 0.88 TDP1 (0.64) TDP1TSHRALDH1A1HSD17B10LMNA
Benzoyl Peroxide SCHEMBL28049936 0.87 TDP1 (0.62) TDP1TSHRALDH1A1HSD17B10LMNA
SCHEMBL7914561 0.84 TDP1 (0.59) TDP1TSHRALDH1A1HSD17B10LMNA
Benzoyl Peroxide SCHEMBL1841580 0.84 TDP1 (0.69) TDP1TSHRALDH1A1HSD17B10LMNA
Benzene SCHEMBL9464161 0.82 TSHR (1.00) TDP1TSHRALDH1A1HSD17B10LMNA

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
US-5089576-A Copolymerization with unsaturated nitrile using bifunctional peroxide or peroxycarbonate as initiator NIPPON ZEON CO., LTD. (JP) 1992-02-18 US disclosed