SCHEMBL30107591

SCHEMBL30107591

CCCCCCCCCCCCCCCC(=O)NCCOCC(=O)Nc1ccccc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
CYP2C9 P11712 1/20 0.48
POLB P06746 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CETP P11597 1/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
ALOX12 P18054 1/20 0.47
SOAT1 P35610 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 2/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL30107585 0.98 HPGD (0.46) KDM4EHPGDCYP2C9POLBNPC1
SCHEMBL9501914 0.80 KMT2A (0.57) KDM4EPOLBNPC1RAB9ACETP
SCHEMBL5010196 0.78 CETP (0.63) KDM4EHPGDCYP2C9POLBCETP
SCHEMBL14282873 0.77 CETP (0.53) HPGDCYP2C9NPC1RAB9ACETP
SCHEMBL14438796 0.75 FAAH (0.53)
SCHEMBL13640887 0.75 FAAH (0.53)
SCHEMBL9747602 0.74 KMT2A (0.62) KDM4EPOLBCETPHDAC3HDAC1
SCHEMBL22807670 0.74 GLP1R (0.50) CNR1
SCHEMBL22110100 0.74 FAAH (0.54)
SCHEMBL24227205 0.73 GLP1R (0.54)

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-113045567-B Phosphatase recruitment chimera (PHORCs) compound based on protein phosphatase 5, preparation method and medical application thereof 中国药科大学 2023-01-31 CN disclosed