SCHEMBL9344467

SCHEMBL9344467

CC(C)(C)OOOC(=O)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.35
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
KMT2A Q03164 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL22775619 1.00 ADRB2 (0.41) ADRB2ADRB1ADRB3SMN1; SMN2CES2
SCHEMBL29120025 0.98 ADRB2 (0.41) ADRB2ADRB1ADRB3SMN1; SMN2CES2
SCHEMBL194560 0.90 ALDH1A1 (0.34) ADRB2ADRB1ADRB3SMN1; SMN2ALDH1A1
SCHEMBL22775616 0.88 CES2 (0.41) ADRB2ADRB1ADRB3SMN1; SMN2CES2
SCHEMBL382062 0.88 CES2 (0.41) ADRB2ADRB1ADRB3SMN1; SMN2CES2
SCHEMBL382706 0.86 ADRB2 (0.40) ADRB2ADRB1ADRB3SMN1; SMN2CES2
SCHEMBL3635120 0.83 LMNA (0.35) ADRB2ADRB1ADRB3SMN1; SMN2ALDH1A1
SCHEMBL2415660 0.82 EPHX1 (0.36) ADRB2ADRB1ADRB3ALDH1A1HSD17B10
SCHEMBL382048 0.82 SMN1; SMN2 (0.41) ADRB2ADRB1ADRB3SMN1; SMN2CES2
SCHEMBL573198 0.81 CES2 (0.50) ADRB2ADRB1ADRB3SMN1; SMN2CES2

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-0364169-B1 Polymeric peroxy ester and its use NIPPON OILS & FATS CO LTD (JP) 1994-06-29 EP disclosed
US-5041624-A Free radical generator, polyerization initiator NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-08-20 US disclosed
EP-0364169-A2 Polymeric peroxy ester and its use NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1990-04-18 EP disclosed