SCHEMBL11459191

SCHEMBL11459191

COC(=O)C(C)c1ccc2cc(C(C)OC(C)=O)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
AKR1C3 P42330 6/20 0.48
AKR1C2 P52895 6/20 0.48
PTGS2 P35354 5/20 0.48
PTGS1 P23219 3/20 0.48
TSHR P16473 2/20 0.48
CDC42 P60953 1/20 0.48
RAC1 P63000 1/20 0.48
CYP1A2 P05177 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
MT-CO2 P00403 1/20 0.45
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43

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
SCHEMBL11460444 0.82 TDP1 (0.58) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL13225230 0.81 AKR1C3 (0.62) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL7514315 0.81 UGT2B7 (0.55) TDP1L3MBTL1AKR1C3AKR1C2TSHR
SCHEMBL10120468 0.81 UGT2B7 (0.55) TDP1L3MBTL1AKR1C3AKR1C2TSHR
SCHEMBL11458636 0.80 TDP1 (0.52) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL15279347 0.80 UGT2B7 (0.49) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL18910941 0.80 CYP2A6 (0.43) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL11459746 0.80 TDP1 (0.55) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL13448800 0.80 TDP1 (0.55) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL30892259 0.80 TDP1 (0.55) TDP1L3MBTL1AKR1C3AKR1C2PTGS2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4207241-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS AND ANTIPRURITIC AGENTS SYNTEX CORPORATION (US) 1980-06-10 US disclosed
US-4097674-A ANTIINFLAMMATORY, ANTIPYRETIC, ANTIPRURITIC AGENTS, ANALGESICS SYNTEX CORPORATION (US) 1978-06-27 US disclosed
US-4051233-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1977-09-27 US disclosed
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
US-4001301-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTI-PRURITIC SYNTEX CORPORATION (PM) 1977-01-04 US disclosed
US-3998966-A Anti-inflammatory, analgesic, anti-pyretic and anti-pruritic 6-substituted 2-naphthyl acetic acid derivative-containing compositions and methods of use thereof SYNTEX CORPORATION (PM) 1976-12-21 US disclosed
US-3980699-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-09-14 US disclosed
US-3978116-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed
US-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed