SCHEMBL7873770

SCHEMBL7873770

CCCOC(=O)c1ccc(C(C)(C)NCC(O)Cn2ccnc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 5/20 0.51
TBXAS1 P24557 7/20 0.50
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL9021044 0.82 ALDH1A1 (0.46) CYP26A1TBXAS1GAAKDM4EALDH1A1
SCHEMBL9021025 0.80 TBXAS1 (0.50) CYP26A1TBXAS1GAAKDM4EALDH1A1
SCHEMBL7868666 0.80 ADRA2C (0.46)
SCHEMBL7875125 0.78 KMT2A (0.43) CYP26A1ADRB2ADRB1GAARAB9A
SCHEMBL8648272 0.78 GAA (0.54) CYP26A1TBXAS1GAAKDM4EALDH1A1
SCHEMBL8445979 0.76 ALDH1A1 (0.64) TBXAS1GAAKDM4EALDH1A1MAPK1
SCHEMBL7873921 0.76 MAPK1 (0.42) TBXAS1KDM4ERAB9AMAPK1HTT
SCHEMBL7868757 0.75 IDH1 (0.38) KDM4ERAB9A
SCHEMBL8447070 0.71 TBXAS1 (0.55) TBXAS1GAAKDM4EALDH1A1MAPK1
SCHEMBL7873823 0.70 HRH3 (0.35) CYP26A1RAB9A

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