SCHEMBL8936884

SCHEMBL8936884

COc1cccc(C(=O)C(C)C(C)C(=O)O)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 4/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 3/20 0.45
GAA P10253 4/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL10641160 0.83 USP2 (0.51) USP2NPC1RAB9AALDH1A1TP53
SCHEMBL14903555 0.78 HPGD (0.49) USP2NPC1RAB9AALDH1A1TP53
SCHEMBL152563 0.78 MAPT (0.59) USP2NPC1RAB9AALDH1A1TP53
SCHEMBL29603325 0.78 MAPT (0.59) USP2NPC1RAB9AALDH1A1TP53
SCHEMBL31257134 0.78 CTSD (0.55) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL29384 0.77 USP2 (0.52) USP2NPC1RAB9AALDH1A1TP53
Hydrochloric Acid SCHEMBL4229730 0.76 MAPT (0.58) USP2NPC1RAB9AALDH1A1TP53
SCHEMBL28776139 0.76 MAPT (0.58) USP2NPC1RAB9AALDH1A1TP53
SCHEMBL9191986 0.76 MAPT (0.58) USP2NPC1RAB9AALDH1A1TP53
SCHEMBL27617245 0.76 MAPT (0.58) USP2NPC1RAB9AALDH1A1TP53

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-0661932-A4 SPECIFIC EATABLE TASTE MODIFIERS. BIORESEARCH INC (US) 1996-06-05 EP claimed
EP-0661932-A1 SPECIFIC EATABLE TASTE MODIFIERS BIORESEARCH, INC. (US) 1995-07-12 EP claimed