SCHEMBL8328608

SCHEMBL8328608

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 4/20 0.42
CDC7 O00311 5/20 0.41
DBF4 Q9UBU7 5/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CASP1 P29466 1/20 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
SCHEMBL8328609 0.92 SMN1; SMN2 (0.43) KMT2ANPSR1ALDH1A1CDC7DBF4
SCHEMBL5711752 0.81 TDP1 (0.54) KMT2ANPSR1ALDH1A1LMNAMAPT
SCHEMBL8332612 0.80 CCNC (0.49) KMT2ANPSR1ALDH1A1LMNAMAPT
SCHEMBL7329538 0.80 TAS1R3 (0.51) KMT2ANPSR1ALDH1A1LMNAMAPT
SCHEMBL15140360 0.79 PPARG (0.47) KMT2ANPSR1ALDH1A1LMNAMAPT
SCHEMBL3512767 0.79 LDHA (0.59) KMT2ANPSR1ALDH1A1LMNAMAPT
SCHEMBL5711753 0.79 PPARA (0.53) KMT2ASMN1; SMN2
SCHEMBL6712994 0.77 RAB9A (0.48) KMT2ALMNAMAPTL3MBTL1TP53
SCHEMBL11662042 0.77 PPARG (0.51) KMT2ANPSR1ALDH1A1LMNAMAPT
SCHEMBL6034897 0.76 ALDH1A3 (0.53) KMT2AALDH1A1LMNAMAPTL3MBTL1

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