SCHEMBL9734583

SCHEMBL9734583

CCOC(=O)CC[C@@H](C(=O)OCC)N(CC)CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.41
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 5/20 0.38
TRPA1 O75762 1/20 0.38
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL27464792 0.81 GAA (0.43) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL28188877 0.79 CPB2 (0.41) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL27703943 0.79 CA2 (0.40) KMT2APOLBGAAALDH1A1HSD17B10
SCHEMBL7948027 0.78 TDP1 (0.40) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL25338592 0.78 ALDH1A1 (0.40) L3MBTL1KMT2AGAAMGAMSI
SCHEMBL14578016 0.77 CA12 (0.39) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL28225285 0.76 ALDH1A1 (0.39) L3MBTL1KMT2AGAAMGAMSI
SCHEMBL14578018 0.76 L3MBTL1 (0.38) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL22608472 0.74 TP53 (0.49) L3MBTL1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL22608474 0.74 TP53 (0.49) L3MBTL1KMT2APOLBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5167963-A Antitumor agents SRI INTERNATIONAL (US) 1992-12-01 US disclosed
EP-0388456-A1 8,10-DIDEAZATETRAHYDROFOLIC ACID DERIVATIVES SRI INTERNATIONAL (US) 1990-09-26 EP disclosed
WO-1990002745-A1 8,10-DIDEAZATETRAHYDROFOLIC ACID DERIVATIVES SRI INTERNATIONAL (US) 1990-03-22 WO disclosed