SCHEMBL432355

SCHEMBL432355

Clc1ccc([C]2CCC2)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
HPGD P15428 2/20 0.49
AHR P35869 1/20 0.48
PTGS2 P35354 1/20 0.45
TP53 P04637 1/20 0.44
HSD11B1 P28845 1/20 0.42
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
PKM P14618 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39

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
SCHEMBL432638 0.95 AHR (0.48) MAPTHPGDAHRPTGS2TP53
SCHEMBL434607 0.93 AHR (0.47) MAPTHPGDAHRPTGS2TP53
SCHEMBL433539 0.91 AHR (0.52) MAPTHPGDAHRPTGS2TP53
SCHEMBL434517 0.78 KMO (0.38) MAPTHPGDHSD11B1S100A4HTT
SCHEMBL6075519 0.78 AHR (0.41) MAPTHPGDAHRTP53HSD11B1
SCHEMBL15566597 0.77 TP53 (0.44) MAPTHPGDTP53TSHRHSD17B10
SCHEMBL29624840 0.77 AHR (0.64) MAPTAHRTP53HSD11B1TSHR
SCHEMBL464507 0.77 AHR (0.64) MAPTAHRTP53HSD11B1TSHR
SCHEMBL17514969 0.74 NISCH (0.46) HPGDTP53HSD11B1RAB9ANPC1
SCHEMBL433557 0.74 KMT2A (0.41) HSD11B1S100A4HTT

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-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed