SCHEMBL9328166

SCHEMBL9328166

N#CCOC(=O)c1ccc(O)c(O)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.46
SELP P16109 1/20 0.46
ANTXR2 P58335 3/20 0.44
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
RECQL P46063 3/20 0.40
TLR2 O60603 1/20 0.40
NSD2 O96028 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
MPI P34949 1/20 0.40
GRK6 P43250 1/20 0.40
TLR1 Q15399 1/20 0.40
TLR6 Q9Y2C9 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
HDAC1 Q13547 1/20 0.40
PIK3CA P42336 1/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL13286836 0.80 SERPINE1 (0.58) SELLSELPANTXR2KDM4EALDH1A1
SCHEMBL639072 0.77 ALDH1A1 (0.61) SELLSELPANTXR2KDM4EALDH1A1
SCHEMBL14062835 0.76 NPC1 (0.66) KDM4EALDH1A1PKML3MBTL1NPC1
SCHEMBL727135 0.74 ALDH1A1 (0.59) SELLSELPKDM4EALDH1A1MAPT
SCHEMBL13942369 0.73 SERPINE1 (0.71) L3MBTL1HDAC1SERPINE1
SCHEMBL6289986 0.73 SERPINE1 (0.44) SERPINE1CA12CA1CA2CA7
SCHEMBL70033 0.73 TNKS (0.50) ALDH1A1MAPTL3MBTL1HPGDMEN1
SCHEMBL9701195 0.73 SELL (0.60) SELLSELPANTXR2KDM4EALDH1A1
SCHEMBL5688465 0.72 CYP3A4 (0.61) SELLSELPANTXR2KDM4EALDH1A1
SCHEMBL2049034 0.72 ALDH1A1 (0.61) SELLSELPANTXR2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584204-A1 MARINE COMPOSITIONS BEARING PREFERENTIALLY CONCENTRATED DOMAINS OF NON-TIN, ORGANO ANTI-FOULING AGENTS BATTELLE MEMORIAL INSTITUTE (US) 1994-03-02 EP claimed
WO-1992020747-A1 MARINE COMPOSITIONS BEARING PREFERENTIALLY CONCENTRATED DOMAINS OF NON-TIN, ORGANO ANTI-FOULING AGENTS BATTELLE MEMORIAL INSTITUTE (US) 1992-11-26 WO claimed
EP-0449975-A1 NON-TIN-BASED, LOW TOXICITY ANTI-FOULING AGENTS. BATTELLE MEMORIAL INSTITUTE (US) 1991-10-09 EP claimed