SCHEMBL11255815

SCHEMBL11255815

O=C(O)CCC(O)NC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
FOLH1 Q04609 5/20 0.54
CTRB1 P17538 2/20 0.54
CASP1 P29466 3/20 0.50
MME P08473 1/20 0.50
ECE1 P42892 1/20 0.50
ATM Q13315 1/20 0.50
CTSL P07711 1/20 0.49
CTSS P25774 1/20 0.49

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
SCHEMBL23705431 0.85 HTT (0.54) HTTFOLH1CTRB1CASP1MME
SCHEMBL6806205 0.85 HTT (0.56) HTTFOLH1CTRB1CASP1MME
SCHEMBL20820039 0.84 CASP1 (0.58) HTTCTRB1CASP1ATMCTSL
SCHEMBL8061660 0.84 ATM (0.56) HTTFOLH1CTRB1ATMCTSL
SCHEMBL265604 0.84 ATM (0.56) HTTFOLH1CTRB1ATMCTSL
SCHEMBL7624700 0.84 FOLH1 (0.59) HTTFOLH1CTRB1CASP1MME
SCHEMBL2921260 0.84 FOLH1 (0.59) HTTFOLH1CTRB1CASP1MME
SCHEMBL910423 0.84 FOLH1 (0.70) FOLH1CASP1MMEECE1
SCHEMBL265046 0.84 ATM (0.56) HTTFOLH1CTRB1ATMCTSL
SCHEMBL6605708 0.84 CTRB1 (0.52) HTTCTRB1ATMCTSLCTSS

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-4347354-A Preparation of 1-N-[ω-amino-α-hydroxyalkanoyl]aminoglycoside polysilylated antibiotics and products obtained therefrom BRISTOL-MYERS COMPANY (US) 1982-08-31 US disclosed