SCHEMBL8390293

SCHEMBL8390293

CCCCCCCCc1cc(CCCCC)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.61
PTGS2 P35354 3/20 0.58
ESR1 P03372 2/20 0.58
ADRA2A P08913 2/20 0.58
ADORA3 P0DMS8 2/20 0.58
TACR2 P21452 2/20 0.58
SLC6A2 P23975 2/20 0.58
SLC6A4 P31645 2/20 0.58
SLC6A3 Q01959 2/20 0.58
TP53 P04637 2/20 0.58
CYP3A4 P08684 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
SHBG P04278 1/20 0.58
HSPD1 P10809 1/20 0.58
ADRB3 P13945 1/20 0.58
HTR2C P28335 1/20 0.58
HSPE1 P61604 1/20 0.58
HIF1A Q16665 1/20 0.58

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
SCHEMBL8392959 1.00 KAT8 (0.61) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL1023316 1.00 KAT8 (0.61) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL11783152 1.00 KAT8 (0.61) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL6212332 1.00 KAT8 (0.61) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL1024221 1.00 KAT8 (0.61) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL1024195 1.00 KAT8 (0.61) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL11783346 1.00 KAT8 (0.61) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL9651340 1.00 KAT8 (0.61) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL1022113 1.00 KAT8 (0.61) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL1021010 1.00 KAT8 (0.61) KAT8PTGS2ESR1ADRA2AADORA3

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
CN-113271910-A Methods of providing oral care benefits using sparingly soluble calcium compounds and fluoride 强生消费者公司 2021-08-17 CN disclosed
EP-0579331-B1 Dry analytical element and method for the colorimetric determination of lithium ion JOHNSON & JOHNSON CLIN DIAG (US) 1999-05-12 EP disclosed
EP-0579331-A1 Dry analytical element and method for the colorimetric determination of lithium ion Johnson & Johnson Clinical Diagnostics, Inc. (US) 1994-01-19 EP disclosed