SCHEMBL7904832

SCHEMBL7904832

CCC(=O)c1ccc(O)c(O)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.53
POLB P06746 2/20 0.45
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 3/20 0.42
RECQL P46063 2/20 0.42
ALOX15 P16050 2/20 0.42
HPGD P15428 1/20 0.42
SELL P14151 1/20 0.42
SELP P16109 1/20 0.42
HMGCR P04035 1/20 0.42
TLR2 O60603 1/20 0.41
NSD2 O96028 1/20 0.41
PKM P14618 1/20 0.41
MPI P34949 1/20 0.41
GRK6 P43250 1/20 0.41
TLR1 Q15399 1/20 0.41

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
SCHEMBL29639744 0.84 MEN1 (0.58) HSP90AB1POLBMAPTALDH1A1MEN1
SCHEMBL480863 0.84 MEN1 (0.58) HSP90AB1POLBMAPTALDH1A1MEN1
SCHEMBL2986601 0.83 HSP90AB1 (0.57) HSP90AB1POLBMAPTALDH1A1MEN1
SCHEMBL9768251 0.80 MAPT (0.40) HSP90AB1POLBMAPTALDH1A1MEN1
SCHEMBL9400544 0.79 HSP90AB1 (0.44) HSP90AB1POLBMAPTALDH1A1MEN1
SCHEMBL209405 0.79 MAPT (0.37) HSP90AB1POLBMAPTALDH1A1MEN1
SCHEMBL24450821 0.78 HSP90AB1 (0.52) HSP90AB1POLBMAPTALDH1A1MEN1
SCHEMBL15700811 0.78 HSP90AB1 (0.52) HSP90AB1POLBMAPTALDH1A1MEN1
SCHEMBL28384502 0.78 HSP90AB1 (0.52) HSP90AB1POLBMAPTALDH1A1MEN1
SCHEMBL30209765 0.78 HSP90AB1 (0.52) HSP90AB1POLBMAPTALDH1A1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104830528-A Preparation method and use method of aquilaria wood perfume DONGGUAN BOTON FLAVORS & FRAGRANCES CO LTD 2015-08-12 CN disclosed
WO-1999064041-A9 MULTIBINDING AGENTS THAT MODULATE NMDA RECEPTORS ADVANCED MEDICINE INC (US) 2001-05-31 WO disclosed
EP-1100519-A1 MULTIBINDING AGENTS THAT MODULATE NMDA RECEPTORS Advanced Medicine, Inc. (US) 2001-05-23 EP disclosed
WO-1999064041-A1 MULTIBINDING AGENTS THAT MODULATE NMDA RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed