SCHEMBL8304483

SCHEMBL8304483

CC(C)(CC(=O)CCl)C(=O)c1ccc2cc[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ HSD17B10 Q99714 5/20 0.50
▸ KDM4E B2RXH2 5/20 0.50
▸ HPGD P15428 3/20 0.50
▸ ENPP2 Q13822 1/20 0.50
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ MAPT P10636 4/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC2 Q92769 3/20 0.41
▸ MAPK14 Q16539 2/20 0.41
▸ HDAC3 O15379 2/20 0.41
▸ HDAC4 P56524 2/20 0.41
▸ HDAC7 Q8WUI4 2/20 0.41
▸ HDAC10 Q969S8 2/20 0.41
▸ HDAC11 Q96DB2 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC9 Q9UKV0 2/20 0.41
▸ HDAC5 Q9UQL6 2/20 0.41

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
SCHEMBL17773178 0.78 ALDH1A1 (0.64) ALDH1A1HSD17B10KDM4EHPGDENPP2
SCHEMBL7243647 0.70 ALDH1A1 (0.70) ALDH1A1HSD17B10KDM4EHPGDENPP2
SCHEMBL121922 0.70 ALDH1A1 (0.70) ALDH1A1HSD17B10KDM4EHPGDENPP2
SCHEMBL828241 0.69 ALDH1A1 (0.64) ALDH1A1HSD17B10KDM4EHPGDENPP2
SCHEMBL17742727 0.69 ALDH1A1 (0.64) ALDH1A1HSD17B10KDM4EHPGDENPP2
SCHEMBL11887259 0.69 ALDH1A1 (0.58) ALDH1A1HSD17B10KDM4EHPGDENPP2
SCHEMBL8110667 0.69 KDM4E (0.58) ALDH1A1HSD17B10KDM4EHPGDENPP2
SCHEMBL29583385 0.68 ALDH1A1 (1.00) ALDH1A1HSD17B10KDM4EHPGDENPP2
SCHEMBL50542 0.68 ALDH1A1 (1.00) ALDH1A1HSD17B10KDM4EHPGDENPP2
SCHEMBL4595294 0.68 ALDH1A1 (1.00) ALDH1A1HSD17B10KDM4EHPGDENPP2

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
EP-0915871-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1999-05-19 — — EP disclosed
WO-1998004553-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F.HOFFMANN-LA ROCHE AG (CH) 1998-02-05 — — WO disclosed
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