SCHEMBL7875151

SCHEMBL7875151

CC(C)(COc1ccccc1)NC(=O)CCCCn1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.52
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL7877317 0.82 PKM (0.56) TBXAS1GAAMEN1KMT2APOLB
SCHEMBL7877344 0.80 TBXAS1 (0.53) TBXAS1ALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL7873758 0.80 TBXAS1 (0.56) TBXAS1ALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL7868705 0.78 MEN1 (0.50) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL12045307 0.73 TBXAS1 (0.82) TBXAS1ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL14255015 0.73 TBXAS1 (0.66) TBXAS1ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL14255017 0.73 TBXAS1 (0.66) TBXAS1ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL10848211 0.73 PKM (0.79) ALDH1A1GAASMN1; SMN2POLBPKM
SCHEMBL8447429 0.73 SMN1; SMN2 (0.53) TBXAS1ALDH1A1SMN1; SMN2PKMLMNA
SCHEMBL10476929 0.72 TBXAS1 (0.79) TBXAS1ALDH1A1KDM4ESMN1; SMN2MEN1

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