SCHEMBL13733726

SCHEMBL13733726

C1=C(C2=CCCCCC2)CCCCC1.CC1(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
PTPN11 Q06124 1/20 0.37
PSMB5 P28074 6/20 0.37
TYMP P19971 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
PTGS2 P35354 1/20 0.34
HASPIN Q8TF76 1/20 0.34
PSMB1 P20618 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ELANE P08246 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
P2RX7 Q99572 1/20 0.32

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
SCHEMBL9337935 0.86 ALDH1A1 (0.36) ALDH1A1CYP3A4PTPN11PSMB5TYMP
SCHEMBL11201526 0.84 TYMP (0.41) ALDH1A1CYP3A4PSMB5TYMPTDP1
SCHEMBL3502363 0.84 TYMP (0.41) ALDH1A1CYP3A4PSMB5TYMPTDP1
SCHEMBL3796623 0.84 TYMP (0.41) ALDH1A1CYP3A4PSMB5TYMPTDP1
SCHEMBL21057468 0.84 TYMP (0.41) ALDH1A1CYP3A4PSMB5TYMPTDP1
SCHEMBL3233362 0.84 TYMP (0.41) ALDH1A1CYP3A4PSMB5TYMPTDP1
SCHEMBL3233355 0.84 TYMP (0.41) ALDH1A1CYP3A4PSMB5TYMPTDP1
SCHEMBL18244171 0.84 TYMP (0.41) ALDH1A1CYP3A4PSMB5TYMPTDP1
SCHEMBL2105114 0.84 TYMP (0.41) ALDH1A1CYP3A4PSMB5TYMPTDP1
SCHEMBL119773 0.84 TYMP (0.41) ALDH1A1CYP3A4PSMB5TYMPTDP1

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-2699096-A2 METHOD FOR MOSQUITO CONTROL Dobson, Stephen (US) 2014-02-26 EP disclosed
WO-2012145145-A2 METHOD FOR MOSQUITO CONTROL DOBSON STEPHEN (US) 2012-10-26 WO disclosed