SCHEMBL10620657

SCHEMBL10620657

CCCCCCC(NC(CCCC)C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.50
TACR3 P29371 3/20 0.48
NAAA Q02083 2/20 0.46
POLB P06746 1/20 0.46
ACE P12821 2/20 0.45
TLR2 O60603 1/20 0.44
ASAH1 Q13510 2/20 0.44
ALDH1A1 P00352 1/20 0.43
ACER2 Q5QJU3 1/20 0.43
CNR2 P34972 1/20 0.43
FOLH1 Q04609 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42

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
SCHEMBL28702567 0.82 POLB (0.48) MMETACR3NAAAPOLBASAH1
SCHEMBL8249158 0.81 MME (0.53) MMENAAAPOLBACEALDH1A1
SCHEMBL11031006 0.81 POLB (0.52) MMETACR3NAAAPOLBASAH1
SCHEMBL5869451 0.81 MME (0.53) MMENAAAPOLBACEALDH1A1
SCHEMBL10349304 0.79 POLB (0.47) TACR3NAAAPOLBALDH1A1CNR2
SCHEMBL2024979 0.79 TACR3 (0.55) TACR3NAAAPOLBASAH1ALDH1A1
SCHEMBL2021335 0.79 TACR3 (0.55) TACR3NAAAPOLBASAH1ALDH1A1
SCHEMBL15093649 0.79 TACR3 (0.55) TACR3NAAAPOLBASAH1ALDH1A1
SCHEMBL15093655 0.79 TACR3 (0.55) TACR3NAAAPOLBASAH1ALDH1A1
SCHEMBL15093823 0.79 TACR3 (0.55) TACR3NAAAPOLBASAH1ALDH1A1

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-4792555-A DESENSITIZERS; ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-12-20 US disclosed