SCHEMBL9268692

SCHEMBL9268692

CCCCOc1ccc(-c2ccc(OCCN(Cc3ccccc3)C(=O)NC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
LMNA P02545 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
LTA4H P09960 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL9260448 0.95 BCHE (0.51) NPC1LMNAALOX15TSHRMAPK1
SCHEMBL9269563 0.94 BCHE (0.53) NPC1LMNAALOX15TSHRMAPK1
SCHEMBL9270804 0.92 ACHE (0.49) NPC1LMNAALOX15TSHRMAPK1
SCHEMBL9271362 0.92 BCHE (0.48) NPC1LMNAALOX15TSHRMAPK1
SCHEMBL9269351 0.91 LSS (0.58) BCHEACHELTA4H
SCHEMBL9273837 0.91 BCHE (0.47) NPC1LMNAALOX15TSHRMAPK1
SCHEMBL9271171 0.91 TSHR (0.55) TSHRMAPK1BCHEACHELTA4H
SCHEMBL9269010 0.91 BCHE (0.47) NPC1LMNAALOX15TSHRMAPK1
SCHEMBL9266749 0.90 ACHE (0.57) NPC1LMNAALOX15TSHRMAPK1
SCHEMBL9273518 0.89 ACHE (0.47) NPC1LMNAALOX15TSHRMAPK1

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
WO-1995029155-A1 NOVEL ANTITUMOUR COMPOUNDS WITH ANTIMITOTIC ACTIVITY PHARMACIA AB (SE) 1995-11-02 WO disclosed