SCHEMBL4948652

SCHEMBL4948652

Cc1oc(C(C)(C)C)cc1C(=O)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.66
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
CYP26A1 O43174 4/20 0.47
USP2 O75604 1/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP2C9 P11712 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL572624 0.85 L3MBTL1 (0.70) L3MBTL1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL5808339 0.84 L3MBTL1 (0.74) L3MBTL1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL13692387 0.81 L3MBTL1 (0.70) L3MBTL1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL5809306 0.81 L3MBTL1 (0.60) L3MBTL1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL573429 0.79 L3MBTL1 (0.68) L3MBTL1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL13076637 0.79 L3MBTL1 (1.00) L3MBTL1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL13035827 0.76 L3MBTL1 (0.64) L3MBTL1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL13044112 0.76 L3MBTL1 (0.64) L3MBTL1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL2837643 0.76 ALDH1A1 (0.64) L3MBTL1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6928551 0.75 L3MBTL1 (0.62) L3MBTL1NPC1RAB9ASMN1; SMN2TP53

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-2008089034-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-07-24 WO disclosed