SCHEMBL435126

SCHEMBL435126

Clc1[c]cccc1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.40
PTGS2 P35354 1/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.35
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
GCGR P47871 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
ALOX15B O15296 1/20 0.33
ALDH1A1 P00352 1/20 0.33
OPRL1 P41146 1/20 0.32
PTGDR Q13258 2/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
PTGER2 P43116 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP11B2 P19099 1/20 0.32
TP53 P04637 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
SCHEMBL456171 0.90 TP53 (0.33) TP53RECQL
SCHEMBL529103 0.78 PTGDR2 (0.36) CELPTGS2PTGDR2HTR1AHTR7
SCHEMBL9644212 0.78 PTGDR2 (0.36) CELPTGS2PTGDR2HTR1AHTR7
SCHEMBL7837737 0.78 PTGS2 (0.38) CELPTGS2PTGDR2HTR1AHTR7
SCHEMBL3690036 0.77 PTGDR2 (0.38) CELPTGS2PTGDR2PDCD1CD274
SCHEMBL432692 0.77 PTGS2 (0.37) CELPTGS2PTGDR2HTR1AHTR7
SCHEMBL1819043 0.76 HTR1A (0.36) CELPTGS2PTGDR2HTR1AHTR7
SCHEMBL23071363 0.74 CEL (0.34) CELPTGS2PTGDR2HTR1AHTR7
SCHEMBL9199412 0.73 CYP2D6 (0.52) ALDH1A1BCHE
SCHEMBL436786 0.73 NPSR1 (0.33) CELALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
CN-1154483-C Use of amines to produce drugs for preventing tumour cell proliferation ��ŵ��-ʥ�������ɷ����޹�˾ 2004-06-23 CN disclosed
CN-1226825-A Use of amines to produce drugs for preventing tumour cell proliferation SANOFI SA (FR) 1999-08-25 CN disclosed
US-4374136-A Pyrimidine derivatives MAY & BAKER LIMITED (GB) 1983-02-15 US disclosed