SCHEMBL17273601

SCHEMBL17273601

Cc1c(OOC(C)(C)C)cccc1C(=O)OO

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ELANE P08246 2/20 0.36
KMT2A Q03164 2/20 0.35
ABCB1 P08183 1/20 0.34
MEN1 O00255 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL28567814 0.90 TSHR (0.41) TSHRALDH1A1HSD17B10TDP1ELANE
SCHEMBL1508738 0.85 PTGER1 (0.43) TSHRALDH1A1HSD17B10TDP1KMT2A
SCHEMBL2507510 0.85 HSD17B10 (0.44) TSHRALDH1A1HSD17B10TDP1ELANE
SCHEMBL384561 0.84 HSD17B10 (0.38) TSHRALDH1A1HSD17B10TDP1ELANE
SCHEMBL27426952 0.78 UTS2R (0.47) ABCB1ESR1ESR2UTS2RSMN1; SMN2
SCHEMBL4962205 0.75 GRM6 (0.38) TSHRELANEKMT2AABCB1MEN1
SCHEMBL28518702 0.75 HSD17B10 (0.49) TSHRALDH1A1HSD17B10TDP1ELANE
SCHEMBL29288745 0.74 HSD17B10 (0.53) TSHRALDH1A1HSD17B10TDP1ELANE
SCHEMBL31571285 0.74 ELANE (0.58) TSHRALDH1A1HSD17B10TDP1ELANE
SCHEMBL9157077 0.73 KMT2A (0.49) TSHRALDH1A1HSD17B10TDP1KMT2A

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-9550731-B2 Method for phase transfer synthesis of organic peroxides HONEYWELL FEDERAL MANUFACTURING & TECHNOLOGIES, LLC (US) 2017-01-24 US disclosed
US-20150336886-A1 METHOD FOR PHASE TRANSFER SYNTHESIS OF ORGANIC PEROXIDES HONEYWELL FEDERAL MANUFACTURING & TECHNOLOGIES, LLC 2015-11-26 US disclosed