SCHEMBL7879586

SCHEMBL7879586

O=C(COc1ccc(Cl)cc1)NCCCCCn1ccnc1

nearest known ligand 0.91

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.91
ADAMTS5 Q9UNA0 1/20 0.74
GAA P10253 1/20 0.71
L3MBTL1 Q9Y468 2/20 0.70
USP2 O75604 1/20 0.66
ALOX12 P18054 1/20 0.66
MAPK1 P28482 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.60
LMNA P02545 2/20 0.60
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
ALDH1A1 P00352 1/20 0.58

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
SCHEMBL7868633 0.84 PKM (0.80) PKMADAMTS5GAAL3MBTL1USP2
SCHEMBL10848211 0.84 PKM (0.79) PKMADAMTS5GAAL3MBTL1USP2
SCHEMBL7868636 0.81 PKM (0.73) PKMADAMTS5GAAL3MBTL1USP2
SCHEMBL22669498 0.80 MEN1 (0.67) PKMADAMTS5GAAALOX12SMN1; SMN2
SCHEMBL9715141 0.80 SMN1; SMN2 (0.77) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10832177 0.79 CYP1A2 (0.91) PKML3MBTL1SMN1; SMN2LMNACYP1A2
SCHEMBL7875162 0.79 NOS1 (0.60) PKMLMNA
SCHEMBL7877262 0.78 GAA (0.65) PKMADAMTS5GAAL3MBTL1USP2
SCHEMBL10833298 0.78 CYP1A2 (0.93) PKML3MBTL1SMN1; SMN2LMNACYP1A2
Hydrochloric Acid SCHEMBL7873793 0.77 NOS1 (0.57) PKMLMNA

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