SCHEMBL30573244

SCHEMBL30573244

COc1ccc2c(c1C(=O)O)CCCN2C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 5/20 0.53
▸ TP53 P04637 2/20 0.45
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ NR3C1 P04150 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 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
SCHEMBL718605 1.00 NOTUM (0.53) NOTUMTP53PDE4APDE4BPDE4C
SCHEMBL29187823 0.73 NOTUM (0.47) NOTUMTP53PDE4APDE4BPDE4C
SCHEMBL7270589 0.72 CA12 (0.50) POLBLMNACA12CA1CA2
SCHEMBL22102561 0.72 CA12 (0.50) LMNACA12CA1CA2CA7
SCHEMBL29660431 0.72 CA12 (0.50) LMNACA12CA1CA2CA7
SCHEMBL29631031 0.70 NOTUM (0.62) NOTUMTP53LMNASMN1; SMN2KDM4E
SCHEMBL20894496 0.70 NOTUM (0.62) NOTUMTP53LMNASMN1; SMN2KDM4E
SCHEMBL3895361 0.70 NOTUM (1.00) NOTUM
SCHEMBL30730960 0.70 NOTUM (1.00) NOTUM
SCHEMBL22312090 0.69 NOTUM (0.84) NOTUMMAPT

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-116602950-A Methods of treating fibrosis 诺格拉制药有限公司 2023-08-18 — — CN disclosed
Send feedback