SCHEMBL9191273

SCHEMBL9191273

O=C1CCC(=O)N1O.O=Cc1ccc(C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.66
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ MAPT P10636 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ TRIM24 O15164 1/20 0.42
▸ TRIM33 Q9UPN9 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ UNG P13051 1/20 0.41
▸ GLA P06280 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ METAP1 P53582 1/20 0.39
▸ MYC P01106 1/20 0.38
▸ IL1RN P18510 1/20 0.38

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
SCHEMBL723218 0.85 CA12 (0.50) ALDH1A1CA12CA1CA9MAPT
Benzaldehyde SCHEMBL7538689 0.82 ALDH1A1 (0.56) ALDH1A1HTTKMT2ATSHRUNG
Terephthalic Acid SCHEMBL11068404 0.81 ALDH1A1 (1.00) ALDH1A1CA12CA1CA9TRIM24
SCHEMBL63361 0.81 ALDH1A1 (1.00) ALDH1A1CA12CA1CA9TRIM24
SCHEMBL8161786 0.79 ALDH1A1 (0.95) ALDH1A1CA12CA1CA9TRIM24
SCHEMBL29693000 0.79 ALDH1A1 (0.95) ALDH1A1CA12CA1CA9TRIM24
SCHEMBL28508718 0.79 ALDH1A1 (0.95) ALDH1A1CA12CA1CA9TRIM24
Hydrochloric Acid SCHEMBL740726 0.79 ALDH1A1 (0.95) ALDH1A1CA12CA1CA9TRIM24
SCHEMBL8594185 0.79 ALDH1A1 (0.95) ALDH1A1CA12CA1CA9TRIM24
SCHEMBL28234323 0.79 ALDH1A1 (0.95) ALDH1A1CA12CA1CA9TRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114703194-B Fluorine-18 labeled CD63 targeted compound and preparation method and application thereof 中山大学附属第五医院 2022-09-02 — — CN disclosed
CN-114703194-A Fluorine-18 labeled CD63 targeting compound and preparation method and application thereof 中山大学附属第五医院 2022-07-05 — — CN disclosed
EP-0361768-B1 Enzyme-nucleic acid hydrazone and hydrazide conjugate compositions, probes and methods SISKA DIAGNOSTICS INC (US) 1995-11-08 — — EP disclosed
EP-0670329-A2 Enzyme-nucleic acid hydrazone and hydrazine conjugate compositions and methods SISKA DIAGNOSTICS,INC. (US) 1995-09-06 — — EP disclosed
EP-0361768-A2 Enzyme-nucleic acid hydrazone and hydrazide conjugate compositions, probes and methods SISKA DIAGNOSTICS,INC. (US) 1990-04-04 — — EP disclosed
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