SCHEMBL9485035

SCHEMBL9485035

CC(C)(CCc1ccccc1)C(=O)P(=O)(C(=O)C(C)(C)CCc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
RIPK1 Q13546 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL11666362 0.83 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30080837 0.77 CYP1A2 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL173883 0.77 CYP1A2 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6803588 0.75 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8287226 0.75 ALDH1A1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28246708 0.75 LTB4R (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5043559 0.75 TSHR (0.47) KMT2AMEN1TSHRALDH1A1GAA
SCHEMBL2439711 0.73 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3971720 0.71 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22570424 0.71 HDAC2 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5218009-A Photoinitiators for the photopolymerization of ethylenically unsaturated compounds CIBA-GEIGY CORPORATION (US) 1993-06-08 US disclosed