SCHEMBL28838781

SCHEMBL28838781

O=C(/C=C/c1cccc2c1CN(C(=O)O)C2)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.51
▸ AKR1B10 O60218 3/20 0.48
▸ AKR1B1 P15121 3/20 0.48
▸ CA12 O43570 2/20 0.48
▸ CA4 P22748 2/20 0.48
▸ CA6 P23280 2/20 0.48
▸ CA5A P35218 2/20 0.48
▸ CA7 P43166 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ CA14 Q9ULX7 2/20 0.48
▸ CA5B Q9Y2D0 2/20 0.48
▸ HCAR2 Q8TDS4 4/20 0.47
▸ TTR P02766 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ ALOX5 P09917 2/20 0.43
▸ TMEM97 Q5BJF2 2/20 0.41
▸ SIGMAR1 Q99720 2/20 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
SCHEMBL24812776 0.87 LMNA (0.45) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL25496472 0.79 LMNA (0.57) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL13284033 0.76 NOTUM (0.40) —
SCHEMBL11837322 0.73 LMNA (0.67) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL27968997 0.73 LMNA (0.67) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL11837318 0.73 LMNA (0.67) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL24495277 0.73 TMEM97 (0.57) TMEM97SIGMAR1L3MBTL1HTR1AADRA2A
SCHEMBL26923080 0.72 HSP90AA1 (0.40) LMNA
SCHEMBL5721978 0.72 HDAC8 (0.49) LMNAAKR1B10AKR1B1ALDH1A1PTGER1
SCHEMBL21800296 0.72 ABHD6 (0.55) TMEM97SIGMAR1L3MBTL1HTR1AADRA2A

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-114901315-A Fibroblast Activation Protein (FAP) -targeted imaging and treatment of cancer and other fibrotic and inflammatory diseases 普渡研究基金会 2022-08-12 — — CN disclosed
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