SCHEMBL28973299

SCHEMBL28973299

CCCC(=O)Oc1c(N)cccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 5/20 0.43
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
ALOX15 P16050 2/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
HSD17B10 Q99714 2/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL2671806 0.87 ACHE (0.47) IAPPCA12CA1CA2CA7
Hydrochloric Acid SCHEMBL7834968 0.85 ACHE (0.46) IAPPCA12CA1CA2CA7
SCHEMBL15018821 0.83 CHEK1 (0.35) IAPPCA12CA1CA2CA7
SCHEMBL28397444 0.83 BCL9 (0.38) BCL9CTNNB1ALDH1A1MEN1KMT2A
SCHEMBL27459370 0.82 SMN1; SMN2 (0.49) IAPPBCL9CTNNB1CA12CA1
Hydrochloric Acid SCHEMBL28808106 0.81 BCL9 (0.37) BCL9CTNNB1CA2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL28559470 0.81 BCL9 (0.37) BCL9CTNNB1ALDH1A1KMT2AALOX15
SCHEMBL9079554 0.81 ALDH1A1 (0.41) BCL9CTNNB1ALDH1A1MEN1MAPT
Hydrochloric Acid SCHEMBL28401106 0.81 ABCB11 (0.40) BCL9CTNNB1ALDH1A1HTTKMT2A
Hydrochloric Acid SCHEMBL28580531 0.80 SMN1; SMN2 (0.43) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116113634-A Modulus modifier and film thereof 齐默尔根公司 2023-05-12 CN disclosed
CN-115515575-A Tyrosine derivatives for the modulation of cancer 迪美公司 2022-12-23 CN disclosed