SCHEMBL436977

SCHEMBL436977

Fc1ccc[c]c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.43
AHR P35869 1/20 0.39
DPP4 P27487 1/20 0.36
TP53 P04637 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CNR1 P21554 1/20 0.34
LMNA P02545 3/20 0.33
GAA P10253 2/20 0.33
HTT P42858 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MGAM O43451 1/20 0.33

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
SCHEMBL433087 0.88 EGLN2 (0.37) HSD11B1EGLN2
SCHEMBL17514767 0.86 HSD11B1 (0.39) HSD11B1TP53RAB9ANPC1HPGD
SCHEMBL435069 0.84 AHR (0.42) HSD11B1AHRTP53RAB9ANPC1
SCHEMBL16720299 0.79 HSD17B10 (0.44) HSD11B1AHRTP53RAB9ANPC1
SCHEMBL432655 0.79 EGLN2 (0.36) HSD11B1AHRTP53ALDH1A1GAA
SCHEMBL8637409 0.79 HSD11B1 (0.47) HSD11B1AHRKDM4EALDH1A1TSHR
SCHEMBL435210 0.77 HSD11B1 (0.41) HSD11B1AHRDPP4TP53RAB9A
SCHEMBL435279 0.74 CYP1A2 (0.38) AHRTP53RAB9ANPC1SMN1; SMN2
SCHEMBL16058080 0.74 ALOX5 (0.42) TP53RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL17514715 0.74 HSD11B1 (0.43) HSD11B1TP53RAB9ANPC1SMN1; 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 4 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