SCHEMBL28699086

SCHEMBL28699086

O=c1oc2ccccc2cc1C1CCC=CO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
TYR P14679 1/20 0.44
DAO P14920 1/20 0.44
AKR1B1 P15121 1/20 0.44
POLB P06746 1/20 0.44
MAOB P27338 7/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
CA1 P00915 2/20 0.41
CA3 P07451 1/20 0.41
TSHR P16473 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41

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
SCHEMBL28548279 0.73 RAB9A (0.57) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL16669125 0.72 BCHE (0.65) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL14251533 0.70 HPGD (0.45) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL27806707 0.66 HPGD (0.44) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7705422 0.66 SMN1; SMN2 (0.44) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9174680 0.66 TSHR (0.46) MEN1KMT2ASMN1; SMN2HPGDMAOB
SCHEMBL29517170 0.65 RAB9A (0.78) RAB9ANPC1SMN1; SMN2HPGDTYR
SCHEMBL4632815 0.63 HPGD (0.62) RAB9ANPC1SMN1; SMN2HPGDTYR
SCHEMBL28912763 0.63 HPGD (0.56) RAB9ANPC1SMN1; SMN2HPGDTYR
SCHEMBL9643651 0.62 HPGD (0.60) RAB9ANPC1SMN1; SMN2HPGDTYR

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-114027199-A Peucedanum praeruptorum seedling breeding method 上海应用技术大学 2022-02-11 CN disclosed