SCHEMBL11038993

SCHEMBL11038993

CC(C)(ON=C(C(=O)NC1C(=O)N2C=C(C[n+]3ccc(C(=O)[O-])cc3)CS[C@H]12)c1nsc(N)n1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.53
▸ ESR1 P03372 3/20 0.53
▸ PPARG P37231 2/20 0.53
▸ PGR P06401 1/20 0.53
▸ TDP1 Q9NUW8 6/20 0.52
▸ HSD17B10 Q99714 4/20 0.52
▸ KCNH2 Q12809 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ADRA1A P35348 1/20 0.37
▸ MAPT P10636 4/20 0.35
▸ APEX1 P27695 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ RECQL P46063 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ ABCC4 O15439 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL11179688 1.00 NR1I2 (0.53) NR1I2ESR1PPARGPGRTDP1
SCHEMBL11038984 1.00 NR1I2 (0.53) NR1I2ESR1PPARGPGRTDP1
SCHEMBL11038988 1.00 NR1I2 (0.53) NR1I2ESR1PPARGPGRTDP1
SCHEMBL11042943 0.93 NR1I2 (0.45) NR1I2ESR1PPARGPGRTDP1
SCHEMBL11042935 0.93 NR1I2 (0.45) NR1I2ESR1PPARGPGRTDP1
SCHEMBL11042939 0.93 NR1I2 (0.45) NR1I2ESR1PPARGPGRTDP1
SCHEMBL11040725 0.92 KCNH2 (0.46) NR1I2ESR1PPARGPGRTDP1
SCHEMBL11040712 0.92 KCNH2 (0.46) NR1I2ESR1PPARGPGRTDP1
SCHEMBL11040728 0.92 KCNH2 (0.46) NR1I2ESR1PPARGPGRTDP1
SCHEMBL11040353 0.90 KCNH2 (0.47) NR1I2ESR1PPARGPGRTDP1

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-0027599-B1 CEPHEM COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-03 — — EP disclosed
US-4425340-A ANTIBIOTICS, BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-01-10 — — US disclosed
US-4390534-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-06-28 — — US disclosed
US-4381299-A 7-Amino-thiadiazole oxyimino derivatives of cephem and cepham compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-04-26 — — US disclosed
EP-0064582-A1 Starting compounds for preparing cephem compounds and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-11-17 — — EP disclosed
EP-0027599-A2 Cephem compounds, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-29 — — EP disclosed
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