SCHEMBL9659559

SCHEMBL9659559

CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnc(C)s3)CS[C@@H]12)c1csc(N)n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.76
▸ PGR P06401 3/20 0.76
▸ HTR2C P28335 1/20 0.74
▸ PPARG P37231 2/20 0.72
▸ SLC22A6 Q4U2R8 2/20 0.72
▸ SLC22A8 Q8TCC7 2/20 0.72
▸ SLC22A11 Q9NSA0 2/20 0.72
▸ DAO P14920 1/20 0.72
▸ SNCA P37840 1/20 0.72
▸ CYP2J2 P51589 1/20 0.72
▸ ABCC4 O15439 2/20 0.71
▸ MAPT P10636 6/20 0.71
▸ ALB P02768 1/20 0.71
▸ KMT2A Q03164 1/20 0.68
▸ TDP1 Q9NUW8 5/20 0.63
▸ APEX1 P27695 3/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ POLB P06746 3/20 0.63
▸ HSD17B10 Q99714 2/20 0.63
▸ RECQL P46063 2/20 0.63

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
SCHEMBL9659553 1.00 NR1I2 (0.76) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL10627715 1.00 NR1I2 (0.76) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL11157941 1.00 NR1I2 (0.76) NR1I2PGRHTR2CPPARGSLC22A6
Pivalate SCHEMBL10773398 0.97 NR1I2 (0.72) NR1I2PGRHTR2CPPARGSLC22A6
Pivalate SCHEMBL9344248 0.96 NR1I2 (0.71) NR1I2PGRHTR2CPPARGSLC22A6
Pivalate SCHEMBL9344258 0.96 NR1I2 (0.71) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL8651088 0.94 NR1I2 (0.78) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL9683604 0.94 NR1I2 (0.78) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL11491121 0.94 NR1I2 (0.78) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL10776749 0.93 TDP1 (0.73) NR1I2PGRHTR2CPPARGSLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5079369-A N-acylating agent FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-01-07 — — US disclosed
US-4877873-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-10-31 — — US disclosed
US-4871860-A Syn-isomer of 3,7-disubstituted-3-cephem-4-caroxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-10-03 — — US disclosed
US-4804752-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-02-14 — — US disclosed
US-4544653-A BACTERICIDAL CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-10-01 — — US disclosed
US-4493833-A BACTERICIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-01-15 — — US disclosed
US-4431643-A CEPHALOSPORINS; BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-02-14 — — US disclosed
US-4364943-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-12-21 — — US disclosed
US-4331664-A BACTERIOSTATS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-05-25 — — US disclosed
US-4316019-A AMIDATION BY A 2-ALKOXYIMINO-2-THIAZOLYLACETIC ACID FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-02-16 — — US disclosed
US-4304770-A Syn-isomer of 3,7-disubstituted-3-cephem-4-carboxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 — — US disclosed
US-4279818-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-07-21 — — US disclosed
US-4166115-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-08-28 — — US disclosed
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