SCHEMBL7868636

SCHEMBL7868636

O=C(COc1ccc(OCc2ccccc2)cc1)NCCCn1ccnc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.73
GAA P10253 3/20 0.72
L3MBTL1 Q9Y468 3/20 0.70
QPCT Q16769 2/20 0.70
ALDH1A1 P00352 2/20 0.64
ADAMTS5 Q9UNA0 1/20 0.63
POLB P06746 1/20 0.60
HMOX1 P09601 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
CYP19A1 P11511 1/20 0.58
CYP11B1 P15538 1/20 0.58
CYP11B2 P19099 1/20 0.58
USP2 O75604 1/20 0.56
ALOX12 P18054 1/20 0.56
MAPK1 P28482 1/20 0.56
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL10848211 0.91 PKM (0.79) PKMGAAL3MBTL1QPCTALDH1A1
SCHEMBL7369227 0.82 QPCT (0.63) PKMGAAL3MBTL1QPCTALDH1A1
SCHEMBL7370531 0.82 QPCT (0.66) PKMGAAL3MBTL1QPCTALDH1A1
SCHEMBL7879586 0.81 PKM (0.91) PKMGAAL3MBTL1ALDH1A1ADAMTS5
SCHEMBL10819292 0.81 SMN1; SMN2 (0.71) PKML3MBTL1QPCTALDH1A1POLB
SCHEMBL7877011 0.80 QPCT (0.66) GAAL3MBTL1QPCTALDH1A1HMOX1
SCHEMBL15132766 0.80 SMN1; SMN2 (0.67) PKML3MBTL1QPCTALDH1A1POLB
SCHEMBL10853278 0.78 SMN1; SMN2 (0.68) PKML3MBTL1QPCTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7873760 0.78 QPCT (0.63) GAAL3MBTL1QPCTALDH1A1HMOX1
SCHEMBL5759785 0.78 HMOX1 (0.85) QPCTHMOX1CYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5780642-A NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed