SCHEMBL8610043

SCHEMBL8610043

Cc1ccc(COC(=O)NC(CC(O)CCCc2ccccc2)c2ccccc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.41
CTSB P07858 4/20 0.41
CYP3A4 P08684 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 2/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
FAAH O00519 1/20 0.38
CTSS P25774 1/20 0.38
CASP1 P29466 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 2/20 0.38

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
SCHEMBL2919212 0.79 TDP1 (0.50) CYP3A4
SCHEMBL8608910 0.76 LMNA (0.43) CTSLCTSBLMNAEPHX2
SCHEMBL8607582 0.74 MMP2 (0.41) LMNA
SCHEMBL7312527 0.71 CYP3A4 (0.51) CTSLCTSBCYP3A4CTSSMEN1
SCHEMBL14099873 0.70 HSD17B10 (0.53) CTSLCYP3A4LMNASMN1; SMN2ATM
SCHEMBL14099876 0.70 HSD17B10 (0.53) CTSLCYP3A4LMNASMN1; SMN2ATM
SCHEMBL5099842 0.70 HSD17B10 (0.53) CTSLCYP3A4LMNASMN1; SMN2ATM
SCHEMBL7418225 0.70 ATM (0.52) CTSLCYP3A4LMNASMN1; SMN2ATM
SCHEMBL9815930 0.69 ATM (0.51) CTSLCYP3A4LMNASMN1; SMN2ATM
SCHEMBL8442391 0.69 ATM (0.51) CTSLCYP3A4LMNASMN1; SMN2ATM

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-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US disclosed