SCHEMBL10819055

SCHEMBL10819055

C/C=C\C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(N)c3ccccc3)[C@H]2SC1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.86
▸ DRD2 P14416 1/20 0.86
▸ DRD3 P35462 1/20 0.86
▸ MAPT P10636 8/20 0.84
▸ ALDH1A1 P00352 7/20 0.84
▸ KMT2A Q03164 6/20 0.84
▸ MEN1 O00255 5/20 0.84
▸ HSD17B10 Q99714 7/20 0.74
▸ TDP1 Q9NUW8 4/20 0.74
▸ CYP3A4 P08684 4/20 0.74
▸ HPGD P15428 3/20 0.74
▸ SLC15A2 Q16348 3/20 0.74
▸ CYP2C19 P33261 2/20 0.74
▸ BLM P54132 1/20 0.74
▸ MAPK1 P28482 1/20 0.74
▸ ADRA1A P35348 1/20 0.74
▸ HTR2B P41595 1/20 0.74
▸ KDM4E B2RXH2 5/20 0.71
▸ CYP2C9 P11712 2/20 0.71
▸ LMNA P02545 2/20 0.71

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
SCHEMBL10819058 1.00 PTGS2 (0.86) PTGS2DRD2DRD3MAPTALDH1A1
Cefprozil Anhydrous, (E)- SCHEMBL14064854 0.93 PTGS2 (1.00) PTGS2DRD2DRD3MAPTALDH1A1
Cefprozil Anhydrous, (E)- SCHEMBL18814837 0.93 PTGS2 (1.00) PTGS2DRD2DRD3MAPTALDH1A1
Cefprozil Anhydrous, (E)- SCHEMBL10801266 0.93 PTGS2 (1.00) PTGS2DRD2DRD3MAPTALDH1A1
Cefprozil SCHEMBL37024 0.93 PTGS2 (1.00) PTGS2DRD2DRD3MAPTALDH1A1
Cefprozil Anhydrous, (E)- SCHEMBL14108301 0.93 PTGS2 (1.00) PTGS2DRD2DRD3MAPTALDH1A1
Cefprozil Anhydrous, (E)- SCHEMBL5191958 0.93 PTGS2 (1.00) PTGS2DRD2DRD3MAPTALDH1A1
Cefprozil Anhydrous, (E)- SCHEMBL2901170 0.93 PTGS2 (1.00) PTGS2DRD2DRD3MAPTALDH1A1
Cefprozil Anhydrous, (E)- SCHEMBL7586258 0.93 PTGS2 (1.00) PTGS2DRD2DRD3MAPTALDH1A1
Cefprozil Anhydrous, (E)- SCHEMBL10801275 0.93 PTGS2 (1.00) PTGS2DRD2DRD3MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4520022-A BACTERIAL INFECTION IN MAMMALS BRISTOL-MYERS COMPANY (US) 1985-05-28 — — US claimed
US-4661590-A BACTERICIDES BRISTOL-MYERS COMPANY (US) 1987-04-28 — — US disclosed
US-4591641-A ORAL ANTIBIOTICS; GRAM NEGATIVE AND GRAM POSITIVE BACTERIA ACTIVITY BRISTOL-MYERS COMPANY (US) 1986-05-27 — — US disclosed
US-4520022-A BACTERIAL INFECTION IN MAMMALS BRISTOL-MYERS COMPANY (US) 1985-05-28 — — US disclosed
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