SCHEMBL10547693

SCHEMBL10547693

C=CCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)c3ccc(O)cc3)[C@H]2SC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 2/20 0.47
▸ PTGS1 P23219 1/20 0.44
▸ MAPT P10636 7/20 0.42
▸ HSD17B10 Q99714 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ SLC15A2 Q16348 3/20 0.42
▸ SLC22A6 Q4U2R8 2/20 0.42
▸ SLC22A8 Q8TCC7 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ SLC22A11 Q9NSA0 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL10547700 1.00 CTDSP1 (0.47) CTDSP1PTGS1MAPTHSD17B10KMT2A
SCHEMBL10548052 0.93 CTDSP1 (0.46) CTDSP1PTGS1MAPTHSD17B10KMT2A
SCHEMBL10548047 0.93 CTDSP1 (0.46) CTDSP1PTGS1MAPTHSD17B10KMT2A
SCHEMBL10552809 0.92 CTDSP1 (0.46) CTDSP1PTGS1MAPTHSD17B10KMT2A
SCHEMBL10551663 0.92 CTDSP1 (0.46) CTDSP1PTGS1MAPTHSD17B10KMT2A
SCHEMBL10548078 0.91 CTDSP1 (0.48) CTDSP1PTGS1MAPTHSD17B10KMT2A
SCHEMBL10795574 0.91 CTDSP1 (0.48) CTDSP1PTGS1MAPTHSD17B10KMT2A
SCHEMBL10548069 0.91 CTDSP1 (0.48) CTDSP1PTGS1MAPTHSD17B10KMT2A
SCHEMBL10795568 0.91 CTDSP1 (0.48) CTDSP1PTGS1MAPTHSD17B10KMT2A
SCHEMBL14064869 0.91 CTDSP1 (0.48) CTDSP1PTGS1MAPTHSD17B10KMT2A

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
EP-0342252-A1 3-allyl- and 3-butenyl-3-cephems and a process for the production thereof Bristol-Myers Squibb Company (US) 1989-11-23 — — EP disclosed
US-4847373-A COUPLING A 3-CHLOROMETHYL-3-CEPHEMS, PALLADIUM AND PHOSPHINE CATALYSTS BRISTOL-MYERS COMPANY (US) 1989-07-11 — — US disclosed
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