SCHEMBL27977079

SCHEMBL27977079

Oc1ccccc1-c1ccc2c(c1)CCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.49
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
BCL2L1 Q07817 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
APP P05067 1/20 0.44
TSHR P16473 1/20 0.43
FFAR4 Q5NUL3 2/20 0.41
QPCT Q16769 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
BAD Q92934 1/20 0.41
KDM1A O60341 1/20 0.41
KDR P35968 1/20 0.41
PGR P06401 2/20 0.40
AR P10275 2/20 0.40
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 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
SCHEMBL27663193 0.96 ESR2 (0.49) ESR2ALDH1A1HPGDBCL2L1HSD17B10
Trimethylammonium SCHEMBL27483759 0.90 ESR2 (0.44) ESR2ALDH1A1HPGDBCL2L1HSD17B10
SCHEMBL4553211 0.78 CD274 (0.60) DRD2DRD1DRD3ADCY8ADCY1
SCHEMBL28136973 0.78 ESR2 (0.42) ESR2ALDH1A1HPGDBCL2L1HSD17B10
SCHEMBL28023620 0.78 ALDH1A1 (0.52) ESR2ALDH1A1HPGDBCL2L1HSD17B10
SCHEMBL8635352 0.78 PARP1 (0.50) ALDH1A1CYP11B1CYP11B2TSHRPGR
SCHEMBL27578678 0.77 CTNNB1 (0.47) ESR2MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL22681721 0.77 MEN1 (0.44) ESR2ALDH1A1HPGDBCL2L1HSD17B10
SCHEMBL28085897 0.76 ESR2 (0.47) ESR2ALDH1A1HPGDBCL2L1HSD17B10
SCHEMBL8356042 0.75 MCL1 (0.45) ALDH1A1HPGDHSD17B10CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104010512-B Synergistic microbicidal compositions 荷兰联合利华有限公司 2018-10-02 CN disclosed
CN-104010513-B Synergistic microbicidal compositions 荷兰联合利华有限公司 2018-04-24 CN disclosed
CN-105028409-B Synergistic microbicidal compositions 荷兰联合利华有限公司 2017-06-09 CN disclosed
CN-105010335-B Synergistic microbicidal compositions 荷兰联合利华有限公司 2017-05-31 CN disclosed
CN-104010500-B Microbicidal composition 荷兰联合利华有限公司 2016-06-15 CN disclosed
CN-105028408-A Microbicidal composition UNILEVER NV 2015-11-11 CN disclosed
CN-105028409-A Microbicidal composition UNILEVER NV 2015-11-11 CN disclosed
CN-105010335-A Microbicidal composition UNILEVER NV 2015-11-04 CN disclosed
CN-104010500-A Microbicidal composition UNILEVER NV (NL) 2014-08-27 CN disclosed