SCHEMBL8440371

SCHEMBL8440371

C=CCOC(=O)Cc1ccc(CSC2CC(=O)N2CC(=O)NCCCCCCc2ccc(F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 6/20 0.40
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NAMPT P43490 1/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
TRPV1 Q8NER1 2/20 0.33
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
ASAH1 Q13510 1/20 0.32

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
SCHEMBL8094854 0.90 PLA2G7 (0.39) PLA2G7TSHRKDM4EALDH1A1TDP1
SCHEMBL8108497 0.88 PLA2G7 (0.38) PLA2G7TSHRKDM4EALDH1A1TDP1
SCHEMBL8438730 0.86 PLA2G7 (0.45) PLA2G7TSHRKDM4EALDH1A1TDP1
SCHEMBL8552851 0.85 PLA2G7 (0.39) PLA2G7TSHRKDM4EALDH1A1TDP1
SCHEMBL8443487 0.84 KMT2A (0.48) PLA2G7TSHRKDM4EALDH1A1TDP1
SCHEMBL8442258 0.83 TDP1 (0.34) PLA2G7TSHRKDM4EALDH1A1TDP1
SCHEMBL8440358 0.82 PLA2G7 (0.44) PLA2G7KDM4EALDH1A1TDP1KMT2A
SCHEMBL8104179 0.80 PLA2G7 (0.42) PLA2G7TSHRKDM4EALDH1A1TDP1
SCHEMBL8094721 0.78 PLA2G7 (0.43) PLA2G7TSHRKDM4EALDH1A1TDP1
SCHEMBL8440276 0.78 TRPV1 (0.50) TSHRALDH1A1NAMPTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US claimed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO claimed
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed