SCHEMBL10606800

SCHEMBL10606800

CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(COC(N)=O)CS[C@H]12)c1cscn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.64
▸ FAP Q12884 2/20 0.61
▸ MAPT P10636 6/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ USP2 O75604 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ TDP1 Q9NUW8 7/20 0.56
▸ HSD17B10 Q99714 5/20 0.56
▸ NR1I2 O75469 4/20 0.56
▸ PGR P06401 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ POLB P06746 2/20 0.55
▸ PKM P14618 2/20 0.55
▸ CTDSP1 Q9GZU7 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ ABCC4 O15439 2/20 0.54
▸ PDE4A P27815 1/20 0.54
▸ ALB P02768 1/20 0.54
▸ PPARG P37231 1/20 0.54

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
SCHEMBL10606802 1.00 PTGS1 (0.64) PTGS1FAPMAPTALDH1A1USP2
SCHEMBL7810054 0.89 PTGS1 (0.81) PTGS1FAPMAPTALDH1A1USP2
SCHEMBL7810048 0.89 PTGS1 (0.81) PTGS1FAPMAPTALDH1A1USP2
SCHEMBL10606259 0.88 TDP1 (0.72) PTGS1MAPTALDH1A1TDP1HSD17B10
SCHEMBL10606264 0.88 TDP1 (0.72) PTGS1MAPTALDH1A1TDP1HSD17B10
SCHEMBL11014163 0.87 TDP1 (0.57) PTGS1FAPMAPTALDH1A1USP2
SCHEMBL10606056 0.86 TDP1 (0.72) MAPTALDH1A1TDP1HSD17B10NR1I2
SCHEMBL10606061 0.86 TDP1 (0.72) MAPTALDH1A1TDP1HSD17B10NR1I2
SCHEMBL10606253 0.86 PTGS1 (0.50) PTGS1FAPMAPTALDH1A1USP2
SCHEMBL10606257 0.86 PTGS1 (0.50) PTGS1FAPMAPTALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150458-B1 CEPHEM COMPOUNDS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1989-11-23 — — EP claimed
US-4705784-A ORAL DRUGS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-11-10 — — US claimed
EP-0150458-A2 Cephem compounds SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1985-08-07 — — EP claimed
EP-0150458-B1 CEPHEM COMPOUNDS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1989-11-23 — — EP disclosed
US-4705784-A ORAL DRUGS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-11-10 — — US disclosed
EP-0150458-A2 Cephem compounds SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1985-08-07 — — EP disclosed
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