SCHEMBL4369067

SCHEMBL4369067

COc1cc(C(CC(=O)N2CCCCC2)C2C=CCS2)ccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.53
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GAA P10253 2/20 0.43
CSF1R P07333 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 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
SCHEMBL4369064 0.84 APP (0.50) APPNPC1RAB9AMEN1KMT2A
SCHEMBL4372450 0.83 MEN1 (0.48) APPNPC1RAB9AMEN1KMT2A
SCHEMBL2994487 0.81 APP (0.57) APPNPC1RAB9AMEN1KMT2A
SCHEMBL4371698 0.77 MEN1 (0.44) APPNPC1RAB9AMEN1KMT2A
SCHEMBL4366818 0.76 APP (0.40) APPNPC1RAB9AMEN1KMT2A
SCHEMBL28853802 0.75 PDE4B (0.42) APPMEN1KMT2AGAAPOLB
SCHEMBL3001856 0.75 TNF (0.52) APPNPC1RAB9AMEN1KMT2A
SCHEMBL7097988 0.69 NPC1 (0.52) APPNPC1RAB9AMEN1KMT2A
SCHEMBL4379011 0.69 LMNA (0.40) MEN1KMT2AGAAKDM4ESMN1; SMN2
SCHEMBL4372447 0.68 MEN1 (0.48) APPNPC1RAB9AMEN1KMT2A

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
EP-2083011-B1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY BIO TECH CO LTD (CN) 2014-06-04 EP disclosed
EP-2083011-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF Tian Jin Hemay Bio-Tech Co., Ltd. (CN) 2009-07-29 EP disclosed