SCHEMBL11716733

SCHEMBL11716733

CCCCCCOC(=O)C(C)c1ccc2cc(C(C)=O)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ THRA P10827 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41

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
SCHEMBL11720900 0.85 THRA (0.41) RAB9ANPC1MAPTTHRAALDH1A1
SCHEMBL14605797 0.85 PTGS2 (0.46) PTGS2ALDH1A1TSHRLMNAAKR1C3
SCHEMBL11724960 0.84 AKR1C3 (0.60) PTGS2RAB9ANPC1MAPTALDH1A1
SCHEMBL10733997 0.84 PTGS2 (0.62) PTGS2MAPTTSHRLMNAAKR1C3
SCHEMBL10729842 0.84 PTGS2 (0.62) PTGS2MAPTTSHRLMNAAKR1C3
SCHEMBL11718787 0.84 PTGS2 (0.62) PTGS2MAPTTSHRLMNAAKR1C3
SCHEMBL9243075 0.84 PTGS2 (0.62) PTGS2MAPTTSHRLMNAAKR1C3
SCHEMBL11723036 0.82 AKR1C3 (0.57) PTGS2ALDH1A1TSHRLMNAAKR1C3
SCHEMBL14606015 0.82 AKR1C3 (0.49) PTGS2ALDH1A1TSHRLMNAAKR1C3
SCHEMBL13089018 0.82 PTGS2 (0.63) PTGS2MAPTTSHRLMNAAKR1C3

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-4048330-A Compositions containing 2-(6'-substituted-2'-naphthyl)acetic acid esters used for treating inflammation, pain or pyrexia SYNTEX CORPORATION (US) 1977-09-13 — — US disclosed
US-4009197-A 2-(6-Substituted-2'-naphthyl) acetic acid derivatives and the salts and esters thereof SYNTEX CORPORATION (PM) 1977-02-22 — — US disclosed
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