SCHEMBL7868531

SCHEMBL7868531

C=CC(=O)NC(C)(C)CSc1ccc(C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 4/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
EPHX2 P34913 2/20 0.38
NR1H4 Q96RI1 2/20 0.38
EGFR P00533 1/20 0.38
FYN P06241 1/20 0.38
SRC P12931 1/20 0.38
EPHB4 P54760 2/20 0.38
TEK Q02763 2/20 0.38
KDR P35968 1/20 0.36
HDAC1 Q13547 1/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 2/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL7876973 0.86 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL8017796 0.77 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL8019097 0.72 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19MAPK1
SCHEMBL22335210 0.71 ALDH1A1 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19MAPK1
SCHEMBL5036894 0.68 TGM2 (0.69) SMN1; SMN2EPHX2NR1H4EGFRFYN
SCHEMBL9078038 0.68 TGM2 (0.63) CYP2C19EPHX2NR1H4NPC1RAB9A
SCHEMBL7873757 0.68 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19EPHB4
SCHEMBL8956291 0.68 RAB9A (0.51) SMN1; SMN2ALDH1A1CYP3A4CYP2C19EPHX2
SCHEMBL25113190 0.67 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19MAPK1
SCHEMBL19860763 0.66 ALDH1A1 (0.55) ALDH1A1CYP3A4CYP2C9CYP2C19MAPK1

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 4 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