SCHEMBL28312015

SCHEMBL28312015

OC1(OCCCc2ccccc2)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
KDM4E B2RXH2 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR1 O14842 1/20 0.40
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 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
SCHEMBL9720395 0.90 CA1 (0.41) IDO1HRH3SIGMAR1MEN1KMT2A
SCHEMBL2237483 0.79 TSHR (0.41) IDO1MEN1KMT2A
SCHEMBL21638945 0.77 TSHR (0.43) IDO1LMNAALDH1A1MEN1KMT2A
SCHEMBL5349572 0.74 OPRM1 (0.59) SIGMAR1
SCHEMBL2126979 0.73 TSHR (0.45) LMNAKDM4E
SCHEMBL5139043 0.73 TSHR (0.43) IDO1LMNAALDH1A1MEN1KMT2A
SCHEMBL22239573 0.71 QPCT (0.41)
SCHEMBL8394931 0.71 LMNA (0.53) LMNAALDH1A1SMN1; SMN2MAPTAPOBEC3A
SCHEMBL4989701 0.69 OPRM1 (0.58) SIGMAR1MEN1KMT2AMAOAMAOB
SCHEMBL17493640 0.69 OPRM1 (0.58) SIGMAR1MEN1KMT2AMAOAMAOB

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-107099004-B A kind of fluorescence hydrogel of high intensity and preparation method thereof 河南理工大学 2019-08-16 CN claimed