SCHEMBL11719691

SCHEMBL11719691

C=Cc1ccc2cc(C(C)C(=O)OCCCCCCCCCCCCCCCC)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.42
▸ APP P05067 4/20 0.41
▸ AKR1C3 P42330 2/20 0.40
▸ AKR1C2 P52895 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 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
SCHEMBL6783429 0.87 LMNA (0.43) APPL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL11723982 0.86 APP (0.42) APPNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL14605797 0.83 PTGS2 (0.46) PTGS2AKR1C3AKR1C2TDP1L3MBTL1
SCHEMBL11718787 0.81 PTGS2 (0.62) PTGS2AKR1C3AKR1C2TDP1L3MBTL1
SCHEMBL11724960 0.81 AKR1C3 (0.60) PTGS2AKR1C3AKR1C2TDP1L3MBTL1
SCHEMBL10733997 0.81 PTGS2 (0.62) PTGS2AKR1C3AKR1C2TDP1L3MBTL1
SCHEMBL9243075 0.81 PTGS2 (0.62) PTGS2AKR1C3AKR1C2TDP1L3MBTL1
SCHEMBL10729842 0.81 PTGS2 (0.62) PTGS2AKR1C3AKR1C2TDP1L3MBTL1
SCHEMBL14606015 0.81 AKR1C3 (0.49) PTGS2AKR1C3AKR1C2TDP1L3MBTL1
SCHEMBL11716733 0.81 PTGS2 (0.44) PTGS2AKR1C3AKR1C2NPC1RAB9A

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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