SCHEMBL8821707

SCHEMBL8821707

Nc1ccc(OCc2cccc(C(=O)O)c2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAOA P21397 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FOLH1 Q04609 1/20 0.46
NR4A2 P43354 2/20 0.46
PTPRC P08575 1/20 0.45
PTPN1 P18031 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.43
OPRL1 P41146 1/20 0.43
HMGB1 P09429 1/20 0.43
PARP10 Q53GL7 3/20 0.43
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PARP15 Q460N3 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
SCHEMBL28307883 0.88 TP53 (0.55) MAOBSMN1; SMN2GAAMAPTMAOA
SCHEMBL1368181 0.75 TP53 (0.63) SMN1; SMN2RAB9AFOLH1NR4A2PTPRC
SCHEMBL6655381 0.75 PTPRC (0.51) MAOBSMN1; SMN2GAAMAPTMAOA
SCHEMBL28632277 0.74 MAOB (0.67) MAOBSMN1; SMN2GAAMAPTMAOA
SCHEMBL3680999 0.74 ALDH1A1 (0.55) SMN1; SMN2RAB9AFOLH1ALDH1A1KDM4E
SCHEMBL30159595 0.74 HMGB1 (0.69) FOLH1HMGB1ALDH1A1
SCHEMBL9221155 0.74 HMGB1 (0.69) FOLH1HMGB1ALDH1A1
SCHEMBL18586471 0.73 HMGB1 (0.53) SMN1; SMN2FOLH1NR4A2HMGB1ALDH1A1
SCHEMBL1760344 0.73 TP53 (0.56) FOLH1NR4A2PTPRCPTPN1MRGPRX4
SCHEMBL22912 0.73 FOLH1 (0.59) FOLH1HMGB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9176032-A None JP disclosed
JP-63185995-A None JP disclosed
JP-H09176032-A CARCINOSTATIC NIPPON FLOUR MILLS CO LTD 1997-07-08 JP disclosed
JP-S63185995-A NOVEL SUBSTANCE NF-861 AND NF-86II AND ALPHA-AMYLASE-INHIBITING AGENT CONTAINING NF-861 AND NF-86II NIPPON SEIFUN KK 1988-08-01 JP disclosed
US-4690891-A CULTRUING SOIL BACILLUS, MUTANTS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1987-09-01 US disclosed