SCHEMBL9503975

SCHEMBL9503975

COC(=O)Cc1ccc2cc(OC(C)C)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.54
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
POLB P06746 1/20 0.53
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
IDH1 O75874 3/20 0.46
FFAR4 Q5NUL3 1/20 0.45
HSP90AB1 P08238 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL392767 0.87 POLB (0.69) POLBALDH1A1KDM4EMAPTNPC1
SCHEMBL21620954 0.87 ALDH1A1 (0.61) PTGS1AKR1C3AKR1C2ALDH1A1GAA
SCHEMBL11462176 0.86 PTGS1 (0.53) PTGS1AKR1C3AKR1C2POLBALDH1A1
SCHEMBL1448732 0.85 PTGS1 (0.73) PTGS1AKR1C3AKR1C2POLBALDH1A1
Methane SCHEMBL9087821 0.84 PTGS1 (0.71) PTGS1AKR1C3AKR1C2POLBALDH1A1
SCHEMBL2168673 0.84 PTGS1 (0.71) PTGS1AKR1C3AKR1C2POLBALDH1A1
SCHEMBL11460900 0.83 PTGS1 (0.69) PTGS1AKR1C3AKR1C2POLBALDH1A1
SCHEMBL9584950 0.81 AKR1C3 (0.54) PTGS1AKR1C3AKR1C2POLBALDH1A1
SCHEMBL2662328 0.80 MEN1 (0.57) PTGS1AKR1C3AKR1C2ALDH1A1GAA
SCHEMBL21451484 0.80 CYP11B1 (0.59) PTGS1AKR1C3AKR1C2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250693-A Lipoxygenase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-05 US disclosed
EP-0547148-A1 NAPHTHALENEPROPIONIC ACID DERIVATIVES AS ANTI-INFLAMMATORY/ANTIALLERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-06-23 EP disclosed
US-5208344-A Benzothiazole derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1993-05-04 US disclosed
WO-1992004325-A1 NAPHTHALENEPROPIONIC ACID DERIVATIVES AS ANTI-INFLAMMATORY/ANTIALLERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1992-03-19 WO disclosed
US-5084575-A Drugs for the treatment of rhinitis, asthma and skin disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-01-28 US disclosed