SCHEMBL23564645

SCHEMBL23564645

CCCCCOCC(O)COC1CCCCCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.53
HTT P42858 3/20 0.51
LPAR5 Q9H1C0 1/20 0.49
SPHK1 Q9NYA1 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 3/20 0.41
NAAA Q02083 2/20 0.41
MAPT P10636 1/20 0.39
ALDH1A1 P00352 3/20 0.38
APOBEC3A P31941 2/20 0.38
APOBEC3G Q9HC16 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL15981157 0.98 USP2 (0.56) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL18274656 0.91 USP2 (0.69) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL20794136 0.85 USP2 (0.50) USP2HTTLPAR5KDM4EMAPT
SCHEMBL14113926 0.83 KDM4E (0.44) HTTKDM4EMAPTALDH1A1APOBEC3A
SCHEMBL300014 0.80 USP2 (0.76) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL13907638 0.80 KDM4E (0.49) HTTKDM4EMAPTALDH1A1APOBEC3A
SCHEMBL13190990 0.79 KDM4E (0.47) HTTKDM4EMAPTALDH1A1APOBEC3A
SCHEMBL16004180 0.79 KDM4E (0.47) HTTKDM4EMAPTALDH1A1APOBEC3A
SCHEMBL13191295 0.79 KDM4E (0.47) HTTKDM4EMAPTALDH1A1APOBEC3A
SCHEMBL9117095 0.78 USP2 (0.80) USP2HTTLPAR5SPHK1CYP1A2

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
US-20210187476-A1 Chromatography Beads, Production and Use Threreof CYTIVA BIOPROCESS R&D AB (SE) 2021-06-24 US disclosed