SCHEMBL7643449

SCHEMBL7643449

CS(=O)(=O)OC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC(=O)/C(=N\OC(c3ccccc3)(c3ccccc3)c3ccccc3)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)[C@H]2SC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.41
▸ PPARG P37231 2/20 0.41
▸ PGR P06401 2/20 0.41
▸ ESR1 P03372 2/20 0.41
▸ TDP1 Q9NUW8 7/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ HTR2C P28335 1/20 0.40
▸ PTGS1 P23219 2/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ ALB P02768 1/20 0.39
▸ SLC22A6 Q4U2R8 1/20 0.39
▸ SLC22A8 Q8TCC7 1/20 0.39
▸ SLC22A11 Q9NSA0 1/20 0.39
▸ APEX1 P27695 3/20 0.38
▸ APAF1 O14727 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL7643450 1.00 NR1I2 (0.41) NR1I2PPARGPGRESR1TDP1
SCHEMBL7542677 0.91 NR1I2 (0.51) NR1I2PPARGPGRESR1TDP1
SCHEMBL7542672 0.91 NR1I2 (0.51) NR1I2PPARGPGRESR1TDP1
SCHEMBL9363531 0.91 NR1I2 (0.41) NR1I2PPARGPGRESR1TDP1
SCHEMBL8443056 0.91 NR1I2 (0.41) NR1I2PPARGPGRESR1TDP1
SCHEMBL8443059 0.91 NR1I2 (0.41) NR1I2PPARGPGRESR1TDP1
SCHEMBL8996918 0.88 NR1I2 (0.41) NR1I2PPARGPGRESR1TDP1
SCHEMBL10490083 0.88 TDP1 (0.42) NR1I2PPARGPGRESR1TDP1
SCHEMBL10490080 0.88 TDP1 (0.42) NR1I2PPARGPGRESR1TDP1
SCHEMBL8996913 0.88 NR1I2 (0.41) NR1I2PPARGPGRESR1TDP1

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-6468995-B1 ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-10-22 — — US disclosed
EP-0667868-A1 NEW CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-08-23 — — EP disclosed
WO-1995007283-A1 NEW CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-16 — — WO disclosed
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