SCHEMBL7876920

SCHEMBL7876920

CC(C)(N)c1ccc(CC(=O)NC2CCCCCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
EPHX2 P34913 3/20 0.62
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 3/20 0.56
SIGMAR1 Q99720 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48

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
SCHEMBL19254907 0.84 NPC1 (0.65) POLBNPC1RAB9AEPHX2ALDH1A1
SCHEMBL7877026 0.81 NPC1 (0.67) NPC1RAB9AEPHX2KMT2ALMNA
SCHEMBL13657956 0.80 LMNA (0.63) POLBNPC1RAB9AEPHX2ALDH1A1
SCHEMBL23130338 0.80 POLB (1.00) POLBNPC1RAB9AEPHX2ALDH1A1
SCHEMBL15652941 0.80 RAB9A (0.73) POLBNPC1RAB9AEPHX2ALDH1A1
SCHEMBL25893862 0.80 RAB9A (0.73) POLBNPC1RAB9AEPHX2ALDH1A1
SCHEMBL28182532 0.79 NPC1 (0.64) NPC1RAB9AEPHX2ALDH1A1MEN1
SCHEMBL9325905 0.79 NPC1 (1.00) POLBNPC1RAB9AEPHX2ALDH1A1
SCHEMBL5053663 0.79 RAB9A (0.71) POLBNPC1RAB9AEPHX2ALDH1A1
SCHEMBL25649879 0.78 RAB9A (0.66) POLBNPC1RAB9AEPHX2ALDH1A1

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 5 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
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed