SCHEMBL8533644

SCHEMBL8533644

CSc1nnnn1-c1ccc(O)c(C=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
POLB P06746 4/20 0.52
ALDH1A1 P00352 5/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 1/20 0.50
TSHR P16473 1/20 0.44
ALPL P05186 4/20 0.42
ALPG P10696 4/20 0.42
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 3/20 0.40
RECQL P46063 3/20 0.40
KMT2A Q03164 3/20 0.40
JAK2 O60674 2/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PTP4A3 O75365 1/20 0.40
ALOX12 P18054 1/20 0.40
PLAA Q9Y263 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL3814197 0.82 LMNA (0.47) SMN1; SMN2ALPLALPGLMNAERN1
SCHEMBL8531579 0.82 ALDH1A1 (0.51) SMN1; SMN2POLBALDH1A1HPGDHTT
SCHEMBL8532995 0.80 NPC1 (0.42) ALDH1A1LMNAL3MBTL1ERN1TP53
SCHEMBL8533186 0.76 ALDH1A1 (0.40) ALDH1A1ALPLALPGLMNAL3MBTL1
SCHEMBL311546 0.76 ERN1 (0.38) SMN1; SMN2POLBALDH1A1HPGDHTT
SCHEMBL8529998 0.75 ESR2 (0.40) SMN1; SMN2MAPTERN1TP53
SCHEMBL8529476 0.75 TSHR (0.56) SMN1; SMN2ALDH1A1HTTTSHRMEN1
SCHEMBL8438530 0.75 SMN1; SMN2 (0.67) SMN1; SMN2POLBALDH1A1HPGDHTT
SCHEMBL10809815 0.72 ALDH1A1 (0.61) SMN1; SMN2POLBALDH1A1HPGDHTT
SCHEMBL24038505 0.70 SMN1; SMN2 (0.60) SMN1; SMN2POLBALDH1A1HPGDHTT

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
US-5843966-A Piperidine derivatives GLAXO GROUP LIMITED (GB) 1998-12-01 US disclosed
EP-0720609-B1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LTD (GB) 1998-11-11 EP disclosed
US-5703240-A ANALGESICS; ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-30 US disclosed
EP-0720609-A1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 1996-07-10 EP disclosed
WO-1995008549-A1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 1995-03-30 WO disclosed