SCHEMBL14439378

SCHEMBL14439378

COc1ccc2c(c1)C(=O)C(=O)C1=C2OC(C)(C)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 9/20 1.00
▸ IDO1 P14902 4/20 0.64
▸ NQO1 P15559 3/20 0.64
▸ POR P16435 3/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ KDM4E B2RXH2 2/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ MAPT P10636 2/20 0.64
▸ ALOX15 P16050 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ CES2 O00748 1/20 0.64
▸ GMNN O75496 1/20 0.64
▸ TDP2 O95551 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ TP53 P04637 1/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ GLA P06280 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ CYP2D6 P10635 1/20 0.64

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
SCHEMBL14439374 0.83 MALT1 (0.71) MALT1IDO1NQO1PORSMN1; SMN2
SCHEMBL14439372 0.81 MALT1 (0.90) MALT1IDO1NQO1PORSMN1; SMN2
SCHEMBL14456608 0.81 MALT1 (0.71) MALT1IDO1NQO1PORSMN1; SMN2
Lapachone SCHEMBL107042 0.79 MALT1 (1.00) MALT1IDO1NQO1PORSMN1; SMN2
SCHEMBL5940394 0.79 MALT1 (0.74) MALT1IDO1NQO1PORSMN1; SMN2
SCHEMBL13611278 0.78 MALT1 (0.64) MALT1IDO1NQO1PORSMN1; SMN2
SCHEMBL5940435 0.78 MALT1 (0.75) MALT1IDO1NQO1PORSMN1; SMN2
SCHEMBL12473165 0.76 MALT1 (0.61) MALT1IDO1NQO1PORSMN1; SMN2
SCHEMBL5940140 0.76 MALT1 (0.71) MALT1IDO1NQO1PORSMN1; SMN2
SCHEMBL14439327 0.73 MALT1 (0.57) MALT1IDO1NQO1PORSMN1; SMN2

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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