SCHEMBL9219366

SCHEMBL9219366

O=C(O)C(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.55
MMP9 P14780 2/20 0.55
MMP3 P08254 1/20 0.55
MMP13 P45452 1/20 0.55
HDAC7 Q8WUI4 6/20 0.55
HDAC1 Q13547 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC2 Q92769 2/20 0.51

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
SCHEMBL28743022 0.93 HDAC7 (0.52) MMP2MMP9MMP3MMP13HDAC7
SCHEMBL6578080 0.91 MMP2 (0.51) MMP2MMP9MMP3MMP13HDAC7
SCHEMBL2640823 0.85 HDAC7 (0.53) MMP2MMP9MMP3MMP13HDAC7
SCHEMBL2640824 0.85 HDAC7 (0.53) MMP2MMP9MMP3MMP13HDAC7
SCHEMBL3359985 0.84 HDAC7 (0.52) MMP2MMP9MMP3MMP13HDAC7
SCHEMBL7898753 0.84 HDAC7 (0.52) MMP2MMP9MMP3MMP13HDAC7
SCHEMBL11093898 0.84 HDAC1 (0.52) MMP2MMP9HDAC7HDAC1SMN1; SMN2
SCHEMBL7026832 0.84 HDAC1 (0.52) MMP2MMP9MMP3MMP13HDAC7
SCHEMBL9191639 0.84 HDAC1 (0.52) MMP2MMP9HDAC7HDAC1SMN1; SMN2
SCHEMBL6954199 0.84 HDAC7 (0.52) MMP2MMP9MMP3MMP13HDAC7

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-5407916-A Oligopeptides for use as analgesics or antipsychotic agents WARNER-LAMBERT COMPANY (US) 1995-04-18 US disclosed