SCHEMBL8135652

SCHEMBL8135652

C/C=C(\C)C(=O)O.O=C(O)/C=C/c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
NFKB1 P19838 1/20 0.49
CA4 P22748 1/20 0.49
MAOB P27338 2/20 0.48
MIF P14174 1/20 0.47
NFE2L2 Q16236 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP1B1 Q16678 1/20 0.46
RECQL P46063 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
L3MBTL1 Q9Y468 2/20 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
SCHEMBL8135658 1.00 RAB9A (0.50) RAB9AMAPTSMN1; SMN2NPC1CA1
SCHEMBL8135655 1.00 RAB9A (0.50) RAB9AMAPTSMN1; SMN2NPC1CA1
SCHEMBL29365442 0.87 CA1 (0.62) RAB9AMAPTSMN1; SMN2NPC1CA1
SCHEMBL79637 0.87 CA1 (0.62) RAB9AMAPTSMN1; SMN2NPC1CA1
SCHEMBL79638 0.87 CA1 (0.62) RAB9AMAPTSMN1; SMN2NPC1CA1
SCHEMBL29374751 0.78 MAPT (0.63) RAB9AMAPTSMN1; SMN2NPC1MAOB
SCHEMBL1781200 0.78 MAPT (0.63) RAB9AMAPTSMN1; SMN2NPC1MAOB
SCHEMBL1781201 0.78 MAPT (0.63) RAB9AMAPTSMN1; SMN2NPC1MAOB
SCHEMBL31464870 0.78 MAPT (0.63) RAB9AMAPTSMN1; SMN2NPC1MAOB
Guanidine SCHEMBL7166541 0.78 CA1 (0.51) RAB9AMAPTSMN1; SMN2NPC1CA1

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-1049682-A1 OXAZOLIDINONE COMBINATORIAL LIBRARIES, COMPOSITIONS AND METHODS OF PREPARATION Versicor, Inc. (US) 2000-11-08 EP disclosed
WO-1999037630-A1 OXAZOLIDINONE COMBINATORIAL LIBRARIES, COMPOSITIONS AND METHODS OF PREPARATION VERSICOR, INC. (US) 1999-07-29 WO disclosed