SCHEMBL9683595

SCHEMBL9683595

CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnc(COCC(=O)O)[nH]3)CS[C@@H]12)c1csc(N)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.70
▸ PGR P06401 2/20 0.70
▸ PPARG P37231 2/20 0.70
▸ SLC22A6 Q4U2R8 2/20 0.70
▸ SLC22A8 Q8TCC7 2/20 0.70
▸ SLC22A11 Q9NSA0 2/20 0.70
▸ DAO P14920 1/20 0.70
▸ SNCA P37840 1/20 0.70
▸ CYP2J2 P51589 1/20 0.70
▸ HTR2C P28335 1/20 0.69
▸ ABCC4 O15439 2/20 0.69
▸ MAPT P10636 5/20 0.67
▸ ALB P02768 1/20 0.67
▸ KMT2A Q03164 1/20 0.62
▸ TDP1 Q9NUW8 7/20 0.58
▸ APEX1 P27695 4/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ POLB P06746 2/20 0.58
▸ RECQL P46063 2/20 0.58

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
SCHEMBL9684873 0.90 NR1I2 (0.75) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9684641 0.90 NR1I2 (0.74) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL8646887 0.89 NR1I2 (0.72) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9684706 0.89 NR1I2 (0.72) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9684979 0.88 NR1I2 (0.70) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9683404 0.87 NR1I2 (0.71) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10627073 0.87 NR1I2 (0.71) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL8683437 0.87 NR1I2 (0.71) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL8647356 0.87 NR1I2 (0.71) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9683603 0.87 NR1I2 (0.71) NR1I2PGRPPARGSLC22A6SLC22A8

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
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 — — US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 — — US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 — — US disclosed
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