SCHEMBL9644960

SCHEMBL9644960

CC(C)(C)OC(=O)C=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CCl)CS[C@@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 2/20 0.40
▸ FAP Q12884 1/20 0.40
▸ PTGS1 P23219 2/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ NR1I2 O75469 5/20 0.36
▸ PPARG P37231 3/20 0.36
▸ PGR P06401 2/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ HTR2C P28335 1/20 0.35
▸ HSD17B10 Q99714 5/20 0.35
▸ TDP1 Q9NUW8 4/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 5/20 0.34
▸ SLC22A6 Q4U2R8 2/20 0.34
▸ SLC22A8 Q8TCC7 2/20 0.34
▸ SLC22A11 Q9NSA0 2/20 0.34
▸ ALB P02768 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ KMT2A Q03164 3/20 0.34

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
SCHEMBL9644956 1.00 CTDSP1 (0.40) CTDSP1FAPPTGS1ABCB11PDE4D
SCHEMBL10638997 0.91 NR1I2 (0.43) CTDSP1FAPPTGS1NR1I2PPARG
SCHEMBL10639008 0.91 NR1I2 (0.43) CTDSP1FAPPTGS1NR1I2PPARG
SCHEMBL9643776 0.89 CTDSP1 (0.47) CTDSP1PTGS1HSD17B10TDP1L3MBTL1
SCHEMBL5712680 0.86 PTGS1 (0.43) CTDSP1PTGS1ABCB11PDE4DNR1I2
SCHEMBL5712682 0.86 PTGS1 (0.43) CTDSP1PTGS1ABCB11PDE4DNR1I2
SCHEMBL10516494 0.86 PTGS1 (0.43) CTDSP1PTGS1ABCB11PDE4DNR1I2
SCHEMBL9201934 0.86 NR1I2 (0.47) CTDSP1FAPPTGS1ABCB11PDE4D
SCHEMBL10516499 0.86 PTGS1 (0.43) CTDSP1PTGS1ABCB11PDE4DNR1I2
SCHEMBL9622714 0.86 PTGS1 (0.43) CTDSP1PTGS1ABCB11PDE4DNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0168327-B1 CEPHALOSPORIN COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1992-09-23 — — EP disclosed
US-4791197-A ANTIBIOTICS SAKAGAMI KENJI (JP) 1988-12-13 — — US disclosed
EP-0168327-A2 Cephalosporin compounds MEIJI SEIKA KAISHA LTD. (JP) 1986-01-15 — — EP disclosed
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