SCHEMBL11720918

SCHEMBL11720918

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ ESR1 P03372 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ AKR1C4 P17516 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ATF1 P18846 2/20 0.37
▸ NFKB1 P19838 2/20 0.37

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
SCHEMBL11723166 0.87 TRPV1 (0.44) FAAHAKR1C3AKR1C2TRPV1
SCHEMBL11722855 0.83 AKR1C3 (0.48) ALDH1A1ESR1NPC1MAPTRAB9A
SCHEMBL11719797 0.82 AKR1C3 (0.45) ALDH1A1NPC1RAB9AAKR1C3AKR1C2
SCHEMBL11720900 0.82 THRA (0.41) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL11723982 0.81 APP (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL11725310 0.81 LMNA (0.37) ALDH1A1TSHRLMNA
SCHEMBL11459202 0.80 PDE2A (0.41) MAPTAKR1C3AKR1C2SMN1; SMN2LMNA
SCHEMBL11719717 0.79 SMN1; SMN2 (0.41) ALDH1A1ESR1NPC1MAPTRAB9A
SCHEMBL11717864 0.79 AKR1C3 (0.40) NPC1RAB9AAKR1C3AKR1C2AKR1C1
SCHEMBL11726834 0.78 ALDH1A1 (0.44) ALDH1A1ESR1NPC1RAB9AAKR1C3

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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