SCHEMBL290148

SCHEMBL290148

CCc1sc(C(=O)O)nc1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.33
FBP1 P09467 1/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
NPC1 O15118 2/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HCAR2 Q8TDS4 2/20 0.32

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
SCHEMBL30036393 0.84 ALDH1A1 (0.37) ALDH1A1HPGDTSHRRAB9ASMN1; SMN2
SCHEMBL5875654 0.82 FBP1 (0.35) ALDH1A1FBP1PSEN1PSEN2APH1B
SCHEMBL25301498 0.82 HRH2 (0.39) ALDH1A1HPGDTSHRL3MBTL1MAPT
SCHEMBL27830697 0.82 TRPM8 (0.36) ALDH1A1HPGDTSHRL3MBTL1MAPT
SCHEMBL259971 0.81 GAA (0.37) ALDH1A1HPGDTSHRFBP1RAB9A
SCHEMBL17760500 0.77 L3MBTL1 (0.35) ALDH1A1HPGDTSHRL3MBTL1RAB9A
SCHEMBL7406267 0.76 GABRP (0.34) ALDH1A1L3MBTL1RAB9AMAPTNPC1
Bicarbonate SCHEMBL27848196 0.74 HRH2 (0.53) ALDH1A1MAPT
SCHEMBL11833656 0.74 ALDH1A1 (0.42) ALDH1A1HPGDTSHRRAB9ASMN1; SMN2
Acetic Acid SCHEMBL8056225 0.73 ALDH1A1 (0.33) ALDH1A1HPGDTSHRL3MBTL1FBP1

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
CN-107325976-B Saccharomyces cerevisiae gene engineering bacterium capable of efficiently utilizing glucose and construction method and application thereof 南京工业大学 2020-10-02 CN disclosed
EP-2427447-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP disclosed
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO disclosed