SCHEMBL11586739

SCHEMBL11586739

C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(N)c3ccc4ccccc4c3)[C@H]2SC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.61
▸ PTGS2 P35354 1/20 0.61
▸ DRD3 P35462 1/20 0.61
▸ ALDH1A1 P00352 7/20 0.60
▸ MAPT P10636 7/20 0.60
▸ HSD17B10 Q99714 6/20 0.60
▸ TDP1 Q9NUW8 5/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ KDM4E B2RXH2 4/20 0.60
▸ HPGD P15428 4/20 0.60
▸ MEN1 O00255 4/20 0.60
▸ CYP3A4 P08684 3/20 0.60
▸ SLC15A2 Q16348 3/20 0.60
▸ CYP2C9 P11712 2/20 0.60
▸ LMNA P02545 2/20 0.60
▸ POLB P06746 1/20 0.60
▸ PKM P14618 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ DUSP3 P51452 1/20 0.60
▸ PTPN5 P54829 1/20 0.60

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
SCHEMBL11586741 1.00 DRD2 (0.61) DRD2PTGS2DRD3ALDH1A1MAPT
SCHEMBL11585032 0.90 ALDH1A1 (0.73) DRD2PTGS2DRD3ALDH1A1MAPT
SCHEMBL11587336 0.90 ALDH1A1 (0.73) DRD2PTGS2DRD3ALDH1A1MAPT
SCHEMBL11587339 0.90 ALDH1A1 (0.73) DRD2PTGS2DRD3ALDH1A1MAPT
SCHEMBL11585026 0.90 ALDH1A1 (0.73) DRD2PTGS2DRD3ALDH1A1MAPT
SCHEMBL10586533 0.84 DRD2 (0.61) DRD2PTGS2DRD3ALDH1A1MAPT
SCHEMBL10795989 0.82 ALDH1A1 (0.58) DRD2PTGS2DRD3ALDH1A1MAPT
SCHEMBL9483281 0.82 ALDH1A1 (0.58) DRD2PTGS2DRD3ALDH1A1MAPT
SCHEMBL10795980 0.82 ALDH1A1 (0.58) DRD2PTGS2DRD3ALDH1A1MAPT
SCHEMBL11587210 0.81 MAPT (0.67) DRD2PTGS2DRD3ALDH1A1MAPT

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
US-4110534-A PROCESS FOR THE PREPARATION OF 3-VINYL AND SUBSTITUTED VINYL CEPHALOSPORINS GLAXO LABORATORIES LIMITED (GB) 1978-08-29 — — US disclosed
US-4107431-A ANTIBIOTICS GLAXO LABORATORIES LIMITED (GB) 1978-08-15 — — US disclosed
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