SCHEMBL11111748

SCHEMBL11111748

CCCCCCC(CCCCC)N[C]=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
GPR84 Q9NQS5 4/20 0.39
FDPS P14324 3/20 0.39
FFAR1 O14842 1/20 0.39
ZDHHC7 Q9NXF8 1/20 0.38
PLA2G2A P14555 1/20 0.38
LMNA P02545 1/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
EPHX1 P07099 1/20 0.37
DNM1 Q05193 1/20 0.37
PLA2G2C Q5R387 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL11110929 0.98 DNM1 (0.41) MAPTADH1BADH1CADH1AADH4
SCHEMBL3026850 0.98 DNM1 (0.41) MAPTADH1BADH1CADH1AADH4
SCHEMBL270648 0.98 MAPT (0.39) MAPTADH1BADH1CADH1AADH4
SCHEMBL277536 0.96 MAPT (0.39) MAPTADH1BADH1CADH1AADH4
SCHEMBL270098 0.95 MAPT (0.38) MAPTADH1BADH1CADH1AADH4
SCHEMBL271828 0.93 MAPT (0.36) MAPTADH1BADH1CADH1AADH4
SCHEMBL4978853 0.91 MAPT (0.39) MAPTADH1BADH1CADH1AADH4
SCHEMBL22395233 0.91 MAPT (0.39) MAPTADH1BADH1CADH1AADH4
SCHEMBL271666 0.91 PLA2G2C (0.35) MAPTFDPSDNM1PLA2G2CTSHR
SCHEMBL271367 0.86 PLA2G2C (0.33) FDPSDNM1PLA2G2CTSHR

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-4474806-A Sulfonyl or carbonyl inositol derivatives useful as anti-inflammatory/analgesic agents MERCK & CO., INC. (US) 1984-10-02 US disclosed