SCHEMBL4808963

SCHEMBL4808963

CC(=Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.60
TRPA1 O75762 1/20 0.53
CYP2C9 P11712 1/20 0.53
HDAC2 Q92769 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
TP53 P04637 1/20 0.47
AKR1C2 P52895 2/20 0.46
AKR1C1 Q04828 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
TBXAS1 P24557 4/20 0.46

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
SCHEMBL122529 0.94 AKR1C3 (0.67) AKR1C3TRPA1CYP2C9HDAC2HDAC3
SCHEMBL122528 0.94 AKR1C3 (0.67) AKR1C3TRPA1CYP2C9HDAC2HDAC3
SCHEMBL3414243 0.90 AKR1C3 (0.72) AKR1C3TP53ALDH1A1HTTTBXAS1
SCHEMBL2732933 0.90 AKR1C3 (0.72) AKR1C3TP53ALDH1A1HTTTBXAS1
SCHEMBL532625 0.85 AKR1C3 (0.77) AKR1C3HDAC2TP53ALDH1A1HTT
SCHEMBL532624 0.85 AKR1C3 (0.77) AKR1C3HDAC2TP53ALDH1A1HTT
SCHEMBL2462983 0.84 AKR1C3 (0.82) AKR1C3TP53ALDH1A1HTTTBXAS1
SCHEMBL2462984 0.84 AKR1C3 (0.82) AKR1C3TP53ALDH1A1HTTTBXAS1
SCHEMBL4806412 0.83 AKR1C3 (0.62) AKR1C3TP53ALDH1A1HTTTBXAS1
SCHEMBL4805932 0.83 AKR1C3 (0.62) AKR1C3TP53ALDH1A1HTTTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7416821-B2 Thermally cured undercoat for lithographic application FUJIFILM ELECTRONIC MATERIALS, U.S.A., INC. (US) 2008-08-26 US disclosed
EP-1743363-A2 THERMALLY CURED UNDERCOAT FOR LITHOGRAPHIC APPLICATION FujiFilm Electronic Materials USA, Inc. (US) 2007-01-17 EP disclosed
US-20050238997-A1 Thermally cured undercoat for lithographic application FUJIFILM ELECTRONIC MATERIALS, U.S.A., INC. 2005-10-27 US disclosed
WO-2005089150-A2 THERMALLY CURED UNDERCOAT FOR LITHOGRAPHIC APPLICATION FUJIFILM ELECTRONIC MATERIALS USA INC. (US) 2005-09-29 WO disclosed