SCHEMBL6994067

SCHEMBL6994067

CC(C)c1ccc(C(=O)NCC(C(=O)NC23CCCC2OCC3=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 5/20 0.38
POLB P06746 2/20 0.37
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CHRNA7 P36544 1/20 0.35
CTSK P43235 1/20 0.35
NPC1 O15118 1/20 0.35
ELOVL6 Q9H5J4 1/20 0.35
IDO1 P14902 1/20 0.34
AKT3 Q9Y243 1/20 0.34

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
SCHEMBL6988745 0.93 CTSK (0.35) RAB9ASMN1; SMN2MEN1KMT2APOLB
SCHEMBL6989614 0.92 TP53 (0.47) RAB9ASMN1; SMN2MEN1KMT2ATP53
SCHEMBL6988021 0.92 NPC1 (0.39) SMN1; SMN2KMT2ATP53POLBTHRB
SCHEMBL6992764 0.91 HPGD (0.39) RAB9ASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6990244 0.91 TP53 (0.38) MEN1KMT2ATP53POLBTHRB
SCHEMBL6988915 0.88 IDO1 (0.42) SMN1; SMN2KMT2ATP53THRBLMNA
SCHEMBL6991739 0.88 TRPV1 (0.38) TP53LMNAPTGDR2
SCHEMBL6993081 0.88 CTSK (0.35) RAB9ASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6294364 0.84 TP53 (0.38) RAB9ATP53POLBTHRBLMNA
SCHEMBL6989694 0.84 KMT2A (0.40) SMN1; SMN2MEN1KMT2ATP53POLB

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-1358176-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
WO-2002057246-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed