SCHEMBL7175457

SCHEMBL7175457

CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(=O)N(S)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 10/20 0.40
BCL2 P10415 1/20 0.40
MCL1 Q07820 1/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS1 P23219 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
NPY2R P49146 1/20 0.37
PTGES O14684 1/20 0.37

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
SCHEMBL27917710 0.80 LMNA (0.43) BCL2MCL1LMNAKMT2APTGS1
SCHEMBL18454125 0.77 ALDH1A1 (0.41) NPY5RBCL2MCL1LMNAKMT2A
SCHEMBL28827410 0.76 ALDH1A1 (0.48) NPY5RBCL2MCL1LMNAKMT2A
Urea SCHEMBL4339122 0.75 ALDH1A1 (0.42) BCL2MCL1LMNAKMT2APTGS1
SCHEMBL4108404 0.74 ALDH1A1 (0.38) BCL2MCL1LMNAKMT2APTGS1
SCHEMBL27926 0.74 ALDH1A1 (0.47) NPY5RBCL2MCL1LMNAKMT2A
SCHEMBL8408960 0.74 ALDH1A1 (0.47) NPY5RBCL2MCL1LMNAKMT2A
Water SCHEMBL2581834 0.73 ALDH1A1 (0.46) NPY5RBCL2MCL1LMNAKMT2A
SCHEMBL9780906 0.73 ALDH1A1 (0.48) NPY5RBCL2MCL1LMNAKMT2A
Thiourea SCHEMBL18454051 0.72 ALDH1A1 (0.44) BCL2MCL1LMNAKMT2AMMP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0942650-B1 INSECTICIDAL AND MITICIDAL COMPOSITIONS BASF AG (DE) 2003-01-22 EP disclosed
US-6221896-B1 CHLORFENAPYR IN COMBINATION WITH ONE OR MORE COMPOUNDS SELECTED FROM THE GROUP CONSISTING OF BENZOEPIN, NEREISTOXIN-TYPE INSECTICIDAL AGENTS AND DIAFENTHIURON. AMERICAN CYANAMID CO. 2001-04-24 US disclosed