SCHEMBL8091198

SCHEMBL8091198

CCCOc1ccccc1CNC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
TSHR P16473 2/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HIF1A Q16665 1/20 0.49
NPC1 O15118 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL2936375 0.87 LMNA (0.59) ALDH1A1MEN1KMT2ANPSR1GAA
SCHEMBL78148 0.81 ALDH1A1 (0.51) ALDH1A1TSHRMEN1KMT2ANPC1
SCHEMBL29053671 0.80 ALDH1A1 (0.47) ALDH1A1TSHRMEN1KMT2ANPC1
SCHEMBL2938380 0.80 KMT2A (0.69) ALDH1A1MEN1KMT2ANPC1NPSR1
SCHEMBL78090 0.80 CACNA1G (0.58) ALDH1A1TSHRMEN1KMT2ANPC1
SCHEMBL16437111 0.80 TSHR (0.53) ALDH1A1TSHRMEN1KMT2ANPSR1
SCHEMBL23275232 0.80 KDM4E (0.51) ALDH1A1MEN1KMT2ANPC1NPSR1
SCHEMBL3188601 0.80 MEN1 (0.54) ALDH1A1MEN1KMT2AHIF1ANPSR1
SCHEMBL5305401 0.79 LMNA (0.60) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL8084869 0.79 L3MBTL1 (0.57) MEN1KMT2AHIF1ANPSR1MAPT

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-1049573-A1 WOOD PRESERVATION AGENTS Bayer Aktiengesellschaft (DE) 2000-11-08 EP disclosed
WO-1999037450-A1 WOOD PRESERVATION AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1999-07-29 WO disclosed