SCHEMBL11111750

SCHEMBL11111750

CCCCCCC(CCCCC)NC=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADH1B P00325 3/20 0.67
▸ ADH1C P00326 3/20 0.67
▸ ADH1A P07327 3/20 0.67
▸ ADH7 P40394 3/20 0.67
▸ ADH4 P08319 2/20 0.67
▸ EPHX1 P07099 2/20 0.48
▸ MAPT P10636 2/20 0.42
▸ TSHR P16473 1/20 0.41
▸ TRPA1 O75762 1/20 0.39
▸ DDAH1 O94760 1/20 0.39
▸ GAPDH P04406 1/20 0.39
▸ GPR84 Q9NQS5 3/20 0.39
▸ FDPS P14324 3/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ ZDHHC7 Q9NXF8 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

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
SCHEMBL18558683 1.00 ADH1B (0.67) ADH1BADH1CADH1AADH7ADH4
SCHEMBL20835080 1.00 ADH1B (0.67) ADH1BADH1CADH1AADH7ADH4
SCHEMBL25693408 1.00 ADH1B (0.67) ADH1BADH1CADH1AADH7ADH4
SCHEMBL11110933 0.98 ADH1B (0.64) ADH1BADH1CADH1AADH7ADH4
SCHEMBL11435239 0.98 ADH1B (0.64) ADH1BADH1CADH1AADH7ADH4
SCHEMBL11450788 0.98 ADH1B (0.63) ADH1BADH1CADH1AADH7ADH4
SCHEMBL6022099 0.96 ADH1B (0.62) ADH1BADH1CADH1AADH7ADH4
SCHEMBL277537 0.96 ADH1B (0.62) ADH1BADH1CADH1AADH7ADH4
SCHEMBL10580815 0.96 ADH1B (0.62) ADH1BADH1CADH1AADH7ADH4
SCHEMBL24697151 0.91 ADH1B (0.62) ADH1BADH1CADH1AADH7ADH4

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
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