SCHEMBL7659939

SCHEMBL7659939

O=C1CCC(C(=O)NCCC(=O)OCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.49
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
HRH4 Q9H3N8 1/20 0.44
EPHX2 P34913 2/20 0.44
GAA P10253 2/20 0.44
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.42
PRSS1 P07477 1/20 0.42

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
SCHEMBL7299337 0.81 CPB1 (0.47) CPB1HTTMEN1KMT2AALDH1A1
SCHEMBL7296884 0.79 F10 (0.48) CPB1HTTMEN1KMT2AALDH1A1
SCHEMBL7599619 0.77 ALDH1A1 (0.73) HTTKMT2AALDH1A1USP2HPGD
SCHEMBL850782 0.77 FABP7 (0.51) KMT2AALDH1A1HPGDGAAMAPK1
SCHEMBL7303090 0.75 HTT (0.59) HTTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL21142117 0.75 SMN1; SMN2 (0.51) CPB1HTTMEN1KMT2AALDH1A1
SCHEMBL305022 0.74 GLA (0.52) KMT2AALDH1A1GAAMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL6653324 0.74 HTR2C (0.55) CPB1MEN1KMT2AALDH1A1GAA
SCHEMBL24526798 0.74 ALDH1A1 (0.56) HTTMEN1KMT2AALDH1A1HPGD
SCHEMBL13323438 0.73 ALDH1A1 (0.61) HTTMEN1KMT2AALDH1A1MAPK1

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-6384065-B1 CONTROL THE FUNCTIONS OF PROTEINS SUCH AS ENZYMES AND RECEPTOR FORTREATING INFLAMMATORY DISEASES SUCH AS RHEUMATOID ARTHRITIS, TOYAMA CHEMICAL CO., LTD. (JP) 2002-05-07 US disclosed
EP-1076056-A1 NOVEL SPIRO COMPOUNDS OR SALTS THEREOF AND PREVENTIVES/REMEDIES FOR AUTOIMMUNE DISEASES AND AP-1 INHIBITORS CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2001-02-14 EP disclosed