SCHEMBL3932284

SCHEMBL3932284

O=C(N[CH]c1ccccc1)C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
ALDH1A1 P00352 5/20 0.51
LMNA P02545 3/20 0.51
USP2 O75604 1/20 0.51
ALOX12 P18054 3/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP2C19 P33261 1/20 0.48
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.47
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
RECQL P46063 2/20 0.45
CETP P11597 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45

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
SCHEMBL27939688 0.85 HPGD (0.51) HPGDALDH1A1USP2NPSR1SMN1; SMN2
SCHEMBL7561876 0.81 MC4R (0.46) HPGDALDH1A1LMNAUSP2KMT2A
SCHEMBL8916132 0.76 CTSC (0.51) KDM4ECYP2C19
SCHEMBL12284755 0.73 ALDH1A1 (0.71) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL7665431 0.73 HPGD (0.66) HPGDALDH1A1LMNAALOX12GAA
SCHEMBL7659482 0.72 HPGD (0.64) HPGDALDH1A1LMNAALOX12GAA
SCHEMBL18642109 0.72 HPGD (0.51) HPGDALDH1A1LMNAALOX12GAA
SCHEMBL18642111 0.72 HPGD (0.51) HPGDALDH1A1LMNAUSP2ALOX12
SCHEMBL18642110 0.72 HPGD (0.51) HPGDALDH1A1LMNAALOX12GAA
SCHEMBL3826924 0.72 NPC1 (0.45) ALDH1A1LMNAMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed