SCHEMBL28589745

SCHEMBL28589745

C#CNC(=O)CCCCCCC/C=C\C/C=C\CCCCC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 6/20 0.61
HPGD P15428 3/20 0.61
CNR1 P21554 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
TRPV1 Q8NER1 1/20 0.61
MAPT P10636 1/20 0.61
ALOX12 P18054 1/20 0.61
BLM P54132 1/20 0.61
F7 P08709 3/20 0.59
F3 P13726 3/20 0.59
KDM4E B2RXH2 2/20 0.59
PPARG P37231 2/20 0.59
PPARD Q03181 2/20 0.59
PPARA Q07869 2/20 0.59
DUSP3 P51452 1/20 0.59
PTPN7 P35236 1/20 0.59
FFAR1 O14842 1/20 0.59
LMNA P02545 1/20 0.59

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
SCHEMBL10226099 0.84 CNR2 (0.74) MEN1KMT2AALDH1A1HPGDCNR1
SCHEMBL23280891 0.81 MEN1 (0.69) MEN1KMT2AALDH1A1HPGDCNR1
SCHEMBL1928628 0.81 MEN1 (0.69) MEN1KMT2AALDH1A1HPGDCNR1
SCHEMBL30581393 0.81 MEN1 (0.69) MEN1KMT2AALDH1A1HPGDCNR1
SCHEMBL6285516 0.81 MEN1 (0.69) MEN1KMT2AALDH1A1HPGDCNR1
SCHEMBL28164737 0.81 HRH3 (0.58) MEN1KMT2ATDP1MAPTBLM
SCHEMBL27590373 0.80 HRH3 (0.56) MEN1KMT2ATDP1MAPTBLM
SCHEMBL6287721 0.80 MEN1 (0.77) MEN1KMT2AALDH1A1HPGDCNR1
SCHEMBL11364852 0.80 CNR1 (0.80) MEN1KMT2AALDH1A1HPGDCNR1
SCHEMBL11139957 0.80 MEN1 (0.77) MEN1KMT2AALDH1A1HPGDCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108603842-B Method for assessing the status of living cells 新加坡科技研究局 2021-06-25 CN disclosed