SCHEMBL8438730

SCHEMBL8438730

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 4/20 0.45
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRPV1 Q8NER1 5/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NAMPT P43490 1/20 0.39

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
SCHEMBL8443487 0.93 KMT2A (0.48) PLA2G7TSHRKDM4EALDH1A1TDP1
SCHEMBL8094721 0.89 PLA2G7 (0.43) PLA2G7TSHRKDM4EALDH1A1TDP1
SCHEMBL8440358 0.87 PLA2G7 (0.44) PLA2G7KDM4EALDH1A1TDP1KMT2A
SCHEMBL27495124 0.86 TRPV1 (0.50) TSHRALDH1A1TRPV1KMT2ANAMPT
SCHEMBL8441268 0.86 TRPV1 (0.50) TSHRALDH1A1TRPV1KMT2ANAMPT
SCHEMBL8440280 0.86 TRPV1 (0.50) TSHRALDH1A1TRPV1KMT2ANAMPT
SCHEMBL27476952 0.86 TRPV1 (0.50) TSHRALDH1A1TRPV1KMT2ANAMPT
SCHEMBL8440276 0.86 TRPV1 (0.50) TSHRALDH1A1TRPV1KMT2ANAMPT
SCHEMBL8094761 0.86 TSHR (0.42) PLA2G7TSHRKDM4EALDH1A1TDP1
SCHEMBL8440371 0.86 PLA2G7 (0.40) PLA2G7TSHRKDM4EALDH1A1TDP1

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