SCHEMBL9686148

SCHEMBL9686148

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

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.63
ELANE P08246 6/20 0.53
ALDH1A1 P00352 3/20 0.52
SRD5A2 P31213 2/20 0.52
ALOX15 P16050 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 1/20 0.47
VNN1 O95497 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
PPARA Q07869 1/20 0.45
ATM Q13315 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL9351799 0.98 MAPK1 (0.65) MAPK1ELANEALDH1A1SRD5A2ALOX15
SCHEMBL781927 0.93 MAPK1 (0.53) MAPK1ELANEALDH1A1SRD5A2NPC1
SCHEMBL9351729 0.87 ELANE (0.49) MAPK1ELANEALDH1A1SRD5A2RAB9A
SCHEMBL9351662 0.87 MAPK1 (0.47) MAPK1ELANEALDH1A1SRD5A2NPC1
SCHEMBL9355370 0.86 MAPK1 (0.46) MAPK1ELANEALDH1A1SRD5A2NPC1
SCHEMBL9355752 0.85 ALDH1A1 (0.64) ELANEALDH1A1SRD5A2ALOX15NPC1
SCHEMBL9351579 0.85 SRD5A2 (0.50) MAPK1ELANEALDH1A1SRD5A2NPC1
SCHEMBL9351657 0.85 ELANE (0.44) MAPK1ELANEALDH1A1SRD5A2RAB9A
Bicarbonate SCHEMBL28584905 0.84 MAPK1 (0.81) MAPK1ALDH1A1ALOX15TDP1TSHR
Bicarbonate SCHEMBL28837071 0.84 MAPK1 (0.81) MAPK1ALDH1A1ALOX15TDP1TSHR

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-5091586-A Photolysis type or pyrolysis type forming agents NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-02-25 US disclosed
EP-0409520-A2 Novel dialkyl peroxides, production method and use thereof NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-01-23 EP disclosed