SCHEMBL8534632

SCHEMBL8534632

O=C(OCc1ccccc1)C1SCCS1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
FABP7 O15540 1/20 0.50
FABP5 Q01469 1/20 0.50
FAAH O00519 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 1/20 0.47
PREP P48147 1/20 0.45
LMNA P02545 2/20 0.45
HCAR2 Q8TDS4 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR2C P28335 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL7330179 0.93 FAAH (0.59) ALDH1A1FABP7FABP5FAAHTDP1
SCHEMBL17391194 0.77 ALDH1A1 (0.60) ALDH1A1FABP7FABP5TDP1MAPK1
SCHEMBL9002126 0.77 ALDH1A1 (0.60) ALDH1A1FABP7FABP5TDP1MAPK1
SCHEMBL6666657 0.77 FABP7 (0.58) ALDH1A1FABP7FABP5TDP1MAPK1
SCHEMBL10917021 0.77 FABP7 (0.58) ALDH1A1FABP7FABP5TDP1MAPK1
SCHEMBL17390977 0.77 ALDH1A1 (0.60) ALDH1A1FABP7FABP5TDP1MAPK1
SCHEMBL17390980 0.77 ALDH1A1 (0.60) ALDH1A1FABP7FABP5TDP1MAPK1
SCHEMBL280126 0.77 FABP7 (0.58) ALDH1A1FABP7FABP5TDP1MAPK1
SCHEMBL136733 0.76 GLA (0.45) ALDH1A1FABP7FABP5FAAHTDP1
SCHEMBL9025732 0.76 ALDH1A1 (0.50) ALDH1A1FABP7FABP5TDP1MAPK1

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-0504612-B1 Novel 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID CO (US) 1998-01-21 EP disclosed
US-5700930-A 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1997-12-23 US disclosed
US-5656753-A 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1997-08-12 US disclosed
US-5371215-A 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1994-12-06 US disclosed
US-5189158-A 4-SUBSTITUTED AZETIDINONES AS PRECURSORS TO 2-SUBSTITUTED-3-CARBOXY CARBAPENEM ANTIBIOTICS AND A METHOD OF PRODUCING THEM AMERICAN CYANAMID COMPANY (US) 1993-02-23 US disclosed
EP-0504612-A2 Novel 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1992-09-23 EP disclosed