SCHEMBL14439374

SCHEMBL14439374

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 9/20 0.71
▸ IDO1 P14902 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ CES2 O00748 1/20 0.56
▸ GMNN O75496 1/20 0.56
▸ TDP2 O95551 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ GLA P06280 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ HSPD1 P10809 1/20 0.56
▸ THRB P10828 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ NQO1 P15559 1/20 0.56

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
SCHEMBL14439327 0.90 MALT1 (0.57) MALT1IDO1MAPTKMT2AKDM4E
SCHEMBL14439378 0.83 MALT1 (1.00) MALT1IDO1MAPTKMT2AKDM4E
SCHEMBL14456608 0.78 MALT1 (0.71) MALT1IDO1MAPTKMT2AKDM4E
SCHEMBL14439372 0.75 MALT1 (0.90) MALT1IDO1MAPTKMT2AKDM4E
Lapachone SCHEMBL107042 0.73 MALT1 (1.00) MALT1IDO1MAPTKMT2AKDM4E
Lapachone SCHEMBL29351050 0.73 MALT1 (1.00) MALT1IDO1MAPTKMT2AKDM4E
SCHEMBL5940394 0.73 MALT1 (0.74) MALT1IDO1MAPTKMT2AKDM4E
SCHEMBL5940435 0.72 MALT1 (0.75) MALT1IDO1MAPTKMT2AKDM4E
SCHEMBL11603374 0.71 MAPT (0.54) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL11610116 0.71 MAPT (0.54) MAPTKMT2AMEN1ALDH1A1RAB9A

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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