SCHEMBL11113791

SCHEMBL11113791

CSCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOC(C)C(=O)OC(C)(C)C)c3csc(N)n3)[C@@H]2SC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.64
▸ HTR2C P28335 1/20 0.64
▸ PPARG P37231 3/20 0.64
▸ MAPT P10636 3/20 0.64
▸ SLC22A6 Q4U2R8 2/20 0.64
▸ SLC22A8 Q8TCC7 2/20 0.64
▸ SLC22A11 Q9NSA0 2/20 0.64
▸ ALB P02768 1/20 0.64
▸ PGR P06401 3/20 0.61
▸ KMT2A Q03164 1/20 0.60
▸ DAO P14920 1/20 0.60
▸ SNCA P37840 1/20 0.60
▸ CYP2J2 P51589 1/20 0.60
▸ ABCC4 O15439 2/20 0.59
▸ TDP1 Q9NUW8 6/20 0.55
▸ APEX1 P27695 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ APAF1 O14727 2/20 0.55
▸ TSHR P16473 1/20 0.55

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
SCHEMBL11113786 1.00 NR1I2 (0.64) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL11109797 0.92 NR1I2 (0.68) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL11109790 0.92 NR1I2 (0.68) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL11109815 0.90 PTGS1 (0.54) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL11109827 0.90 PTGS1 (0.54) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL10345817 0.90 NR1I2 (0.58) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL10345814 0.90 NR1I2 (0.58) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL11105949 0.90 NR1I2 (0.51) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL11105953 0.90 NR1I2 (0.51) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL10976311 0.89 NR1I2 (0.65) NR1I2HTR2CPPARGMAPTSLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4462999-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-07-31 — — US disclosed
Send feedback