SCHEMBL27600565

SCHEMBL27600565

CC(C)(C)CCC(=O)c1ccc(C(=O)CCC(C)(C)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 6/20 0.42
PPARA Q07869 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B3 P37058 2/20 0.40
USP5 P45974 1/20 0.40
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
NR4A2 P43354 1/20 0.38
FFAR1 O14842 1/20 0.38
CYP1A2 P05177 1/20 0.38
HIF1A Q16665 1/20 0.38
PDE4B Q07343 1/20 0.38

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
SCHEMBL3286097 0.94 KMT2A (0.47) ITGB3ITGA2BKMT2AL3MBTL1PPARA
SCHEMBL3333245 0.83 ALDH1A1 (0.44) ITGB3ITGA2BKMT2AL3MBTL1PPARA
SCHEMBL12601655 0.82 L3MBTL1 (0.57) KMT2AL3MBTL1ALDH1A1SMN1; SMN2HPGD
Methane SCHEMBL230118 0.81 L3MBTL1 (0.55) KMT2AL3MBTL1ALDH1A1SMN1; SMN2HPGD
SCHEMBL16284851 0.80 SMN1; SMN2 (0.66) L3MBTL1ALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL24433809 0.79 RAB9A (0.58) KMT2AL3MBTL1ALDH1A1SMN1; SMN2HPGD
SCHEMBL10390961 0.79 GSK3B (0.53) KMT2AL3MBTL1ALDH1A1SMN1; SMN2HPGD
SCHEMBL22624012 0.79 NPC1 (0.62) KMT2ASMN1; SMN2LMNARAB9ANPC1
SCHEMBL12601653 0.79 GSK3B (0.53) KMT2AL3MBTL1ALDH1A1HPGDLMNA
SCHEMBL8742275 0.79 ITGB3 (0.40) ITGB3ITGA2BKMT2AL3MBTL1PPARA

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
CN-1479712-A Ketone compounds and compositions for cholesterol management and related uses ͨ��ҽ�ƹ�˾ 2004-03-03 CN claimed