SCHEMBL9862874

SCHEMBL9862874

CCCNC(=O)C(O)(CC)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
RECQL P46063 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
RIPK1 Q13546 1/20 0.39
PPARA Q07869 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 2/20 0.38
TSHR P16473 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38
SCN1A P35498 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SCN5A Q14524 1/20 0.38

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
SCHEMBL201754 0.81 PPARA (0.53) LMNAHTTMAPTALOX12PPARA
SCHEMBL17653510 0.79 PPARG (0.42) L3MBTL1MAPTRECQLNPSR1PPARA
SCHEMBL4752621 0.79 PPARG (0.42) L3MBTL1MAPTRECQLNPSR1PPARA
SCHEMBL8075911 0.73 ALDH1A1 (0.38) L3MBTL1MAPTRECQLNPSR1PPARA
SCHEMBL28230446 0.73 PIN1 (0.49) HTTMAPTRECQLNPSR1PPARA
SCHEMBL6188978 0.71 LMNA (0.55) L3MBTL1LMNAHTTALOX12RIPK1
SCHEMBL1895641 0.70 TAAR1 (0.58)
SCHEMBL20077094 0.69 LMNA (0.53) L3MBTL1LMNAHTTMAPTRIPK1
SCHEMBL6435539 0.69 CNR1 (0.67) L3MBTL1LMNAHTTRIPK1ALDH1A1
SCHEMBL27612101 0.69 PRSS1 (0.35) PPARA

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
US-4988828-A Antiulcer agents, antagonist for histamine H2 receptors FUJIREBIO KABUSHIKI KAISHA (JP) 1991-01-29 US disclosed
EP-0318036-A2 Phenoxypropyl derivatives FUJIREBIO KABUSHIKI KAISHA (JP) 1989-05-31 EP disclosed