SCHEMBL14439372

SCHEMBL14439372

CC1(C)CCC2=C(O1)c1ccc(O)cc1C(=O)C2=O

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 9/20 0.90
▸ IDO1 P14902 4/20 0.68
▸ KDM4E B2RXH2 2/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ MAPT P10636 2/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ CES2 O00748 1/20 0.68
▸ GMNN O75496 1/20 0.68
▸ TDP2 O95551 1/20 0.68
▸ LMNA P02545 1/20 0.68
▸ TP53 P04637 1/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ GLA P06280 1/20 0.68
▸ CYP3A4 P08684 1/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ HSPD1 P10809 1/20 0.68
▸ THRB P10828 1/20 0.68
▸ CYP2C9 P11712 1/20 0.68
▸ NQO1 P15559 1/20 0.68
▸ ALOX15 P16050 1/20 0.68

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
SCHEMBL14456608 0.83 MALT1 (0.71) MALT1IDO1KDM4EALDH1A1MAPT
SCHEMBL14439378 0.81 MALT1 (1.00) MALT1IDO1KDM4EALDH1A1MAPT
SCHEMBL5940394 0.81 MALT1 (0.74) MALT1IDO1KDM4EALDH1A1MAPT
Lapachone SCHEMBL107042 0.81 MALT1 (1.00) MALT1IDO1KDM4EALDH1A1MAPT
Lapachone SCHEMBL29351050 0.81 MALT1 (1.00) MALT1IDO1KDM4EALDH1A1MAPT
SCHEMBL5940435 0.80 MALT1 (0.75) MALT1IDO1KDM4EALDH1A1MAPT
SCHEMBL5940140 0.78 MALT1 (0.71) MALT1IDO1KDM4EALDH1A1MAPT
SCHEMBL25704071 0.78 MALT1 (0.71) MALT1IDO1KDM4EALDH1A1MAPT
SCHEMBL14439374 0.75 MALT1 (0.71) MALT1IDO1KDM4EALDH1A1MAPT
SCHEMBL10916020 0.72 MALT1 (0.72) MALT1IDO1KDM4EALDH1A1MAPT

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-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 — — US disclosed
US-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 — — US disclosed
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