SCHEMBL11587210

SCHEMBL11587210

C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(C(=O)O)c3ccccc3)[C@@H]2SC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.67
▸ TDP1 Q9NUW8 5/20 0.67
▸ POLB P06746 1/20 0.67
▸ PKM P14618 1/20 0.67
▸ HTT P42858 1/20 0.67
▸ DUSP3 P51452 1/20 0.67
▸ PTPN5 P54829 1/20 0.67
▸ PTPN11 Q06124 1/20 0.67
▸ SPOP O43791 6/20 0.61
▸ ALDH1A1 P00352 7/20 0.56
▸ HSD17B10 Q99714 5/20 0.56
▸ HPGD P15428 4/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ SLC15A2 Q16348 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ BLM P54132 1/20 0.56
▸ NR1I2 O75469 1/20 0.56

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
SCHEMBL11587206 1.00 MAPT (0.67) MAPTTDP1POLBPKMHTT
SCHEMBL11706051 0.88 DRD2 (0.56) MAPTTDP1POLBPKMHTT
SCHEMBL11587339 0.88 ALDH1A1 (0.73) MAPTTDP1POLBPKMHTT
SCHEMBL11587336 0.88 ALDH1A1 (0.73) MAPTTDP1POLBPKMHTT
SCHEMBL11585032 0.88 ALDH1A1 (0.73) MAPTTDP1POLBPKMHTT
SCHEMBL11585026 0.88 ALDH1A1 (0.73) MAPTTDP1POLBPKMHTT
SCHEMBL11858260 0.85 ALDH1A1 (0.60) MAPTTDP1POLBPKMHTT
SCHEMBL11858254 0.85 ALDH1A1 (0.60) MAPTTDP1POLBPKMHTT
SCHEMBL11314412 0.85 ALDH1A1 (0.62) MAPTTDP1ALDH1A1HSD17B10HPGD
SCHEMBL11314143 0.85 HSD17B10 (0.77) MAPTTDP1POLBALDH1A1HSD17B10

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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