SCHEMBL8328609

SCHEMBL8328609

CCOC(=O)C(Oc1ccncc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
LDHA P00338 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 0.40
CDC7 O00311 4/20 0.38
DBF4 Q9UBU7 4/20 0.38
PIN1 Q13526 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL8328608 0.92 KMT2A (0.44) SMN1; SMN2NPSR1KMT2ALMNAL3MBTL1
SCHEMBL8332614 0.82 CCNC (0.46) SMN1; SMN2NPSR1KMT2ALMNAL3MBTL1
SCHEMBL8331317 0.81 PPARA (0.55) PPARGPPARA
SCHEMBL5711752 0.78 TDP1 (0.54) SMN1; SMN2NPSR1KMT2ALMNAL3MBTL1
SCHEMBL7694497 0.75 ALDH1A1 (0.57) SMN1; SMN2KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL8949976 0.75 MAPT (0.54) SMN1; SMN2KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL27496395 0.73 MMP8 (0.51) NPSR1KMT2AALDH1A1CDC7DBF4
SCHEMBL855858 0.73 ALDH1A1 (0.54) SMN1; SMN2NPSR1KMT2ALMNAL3MBTL1
SCHEMBL8332612 0.73 CCNC (0.49) NPSR1KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL7329538 0.73 TAS1R3 (0.51) SMN1; SMN2LDHANPSR1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5908863-A ANTIGROWTH AGENT FOR BONES DOMPE' S.P.A. (IT) 1999-06-01 US disclosed
EP-0792878-A2 Geminal carboxylic acids and esters thereof, pharmaceutical formulations containing them useful in the treatment of bone dysmetabolism Dompé S.P.A. (IT) 1997-09-03 EP disclosed