SCHEMBL7873757

SCHEMBL7873757

C=CC(=O)NC(C)(C)CSc1cc(C)c(Cl)cc1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
GSTO1 P78417 1/20 0.31
EPHB4 P54760 1/20 0.31
TEK Q02763 1/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL7913474 0.82 TSHR (0.38) ALDH1A1CYP3A4MEN1KMT2AL3MBTL1
SCHEMBL7876973 0.73 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL8019097 0.69 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL20220024 0.68 GAA (0.33) KMT2A
SCHEMBL7868531 0.68 SMN1; SMN2 (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL19918136 0.68 KMT2A (0.36) ALDH1A1MEN1KMT2AL3MBTL1EPHB4
SCHEMBL22335210 0.67 ALDH1A1 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL9167442 0.67 BCAT2 (0.41) ALDH1A1CYP3A4MEN1KMT2AL3MBTL1
SCHEMBL25113190 0.64 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL9252889 0.63 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1

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