SCHEMBL11470486

SCHEMBL11470486

CC(C)c1ccc2cc(C(C)C(=O)O)ccc2c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 13/20 0.69
▸ AKR1C2 P52895 13/20 0.69
▸ PTGS2 P35354 5/20 0.69
▸ PTGS1 P23219 4/20 0.69
▸ CDC42 P60953 1/20 0.69
▸ RAC1 P63000 1/20 0.69
▸ CYP1A2 P05177 1/20 0.69
▸ TSHR P16473 1/20 0.69
▸ SLC22A6 Q4U2R8 1/20 0.69
▸ AKR1B1 P15121 1/20 0.57

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
Ammonia Solution, Strong SCHEMBL11721423 0.98 AKR1C3 (0.67) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL4679446 0.90 AKR1B1 (0.69) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL10025981 0.90 AKR1B1 (0.69) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL1217681 0.90 AKR1B1 (0.69) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL12431128 0.90 AKR1B1 (0.69) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL30717241 0.90 AKR1B1 (0.69) AKR1C3AKR1C2PTGS2PTGS1CDC42
Hydrochloric Acid SCHEMBL27401798 0.89 AKR1B1 (0.67) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL11476933 0.86 AKR1C3 (0.68) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL11764188 0.86 PTGS2 (0.55) AKR1C3AKR1C2PTGS2PTGS1CDC42
Acetic Acid SCHEMBL28429217 0.85 EIF4A3 (0.53) AKR1C3AKR1C2PTGS2PTGS1CDC42

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 11 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-4132804-A 2-(6-METHOXY-2-NAPHTHYL)PROPIONIC ACID THE UPJOHN COMPANY (US) 1979-01-02 — — 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-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-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 — — US disclosed
US-3978116-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 — — US disclosed
US-3958012-A ANTIINFLAMMATORY, ANALGESIC AND ANTIPYRETIC ACTIVITY SYNTEX CORPORATION (US) 1976-05-18 — — US disclosed
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