SCHEMBL7913474

SCHEMBL7913474

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
MAPT P10636 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CXCR2 P25025 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL7873757 0.82 ALDH1A1 (0.41) L3MBTL1MAPTKMT2AMEN1POLB
SCHEMBL7873838 0.71 L3MBTL1 (0.50) TSHRL3MBTL1MAPTKMT2AMEN1
SCHEMBL20220024 0.70 GAA (0.33) KMT2ACXCR2GAA
SCHEMBL9167442 0.68 BCAT2 (0.41) L3MBTL1CA1CA2CA12CA9
SCHEMBL12297749 0.66 ALDH1A1 (0.50) MAPTKMT2AMEN1CYP3A4HPGD
SCHEMBL17325396 0.63 GAA (0.42) KMT2AGAA
SCHEMBL9710279 0.62 CA12 (0.36) TSHRCA1CA2CA12CA9
SCHEMBL7821197 0.62 KMT2A (0.44) TSHRL3MBTL1CA1CA2CA12
SCHEMBL11872403 0.62 KMT2A (0.50) L3MBTL1CA1CA2CA12CA9
SCHEMBL10818701 0.60 CD44 (0.44) KMT2ACYP3A4GAA

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-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