SCHEMBL6932284

SCHEMBL6932284

COc1cn(C)c(=O)n(C(=O)O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.36
KDM4E B2RXH2 3/20 0.35
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL8589752 0.76 BRD4 (0.34) KDM4EPOLBLMNAMAPTALDH1A1
SCHEMBL1144954 0.67 LMNA (0.35) ERN1KDM4EPOLBLMNAMAPT
SCHEMBL5154751 0.63 CA12 (0.47) KDM4ELMNACA12CA1CA2
SCHEMBL5156208 0.63 ALDH1A1 (0.41) KDM4EPOLBLMNAMAPTCA12
SCHEMBL16921627 0.62 MAPT (0.36) KDM4EPOLBLMNAMAPTCYP2C9
SCHEMBL2384938 0.62 BRD4 (0.35) KDM4ELMNAMAPTCYP2C9ALDH1A1
SCHEMBL31405408 0.62 CA12 (0.55) KDM4ELMNAMAPTCYP2C9CA12
SCHEMBL7586824 0.62 KDM4E (0.35) KDM4EPOLBMAPTCYP2C9SMN1; SMN2
SCHEMBL23900422 0.58 BRD4 (0.54) KDM4EPOLBLMNAMAPTALDH1A1
SCHEMBL17372112 0.58 GRIN2D (0.42) KDM4ELMNAMAPTCYP2C9SMN1; 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
EP-1092038-A4 OCT1p, A PROTEIN HAVING HOMOLOGY TO THE ORGANIC AND SUGAR TRANSPORTER FAMILY OF PROTEINS, AND USES THEREOF MILLENNIUM PHARM INC (US) 2003-04-02 EP disclosed
EP-1092038-A1 OCT1p, A PROTEIN HAVING HOMOLOGY TO THE ORGANIC AND SUGAR TRANSPORTER FAMILY OF PROTEINS, AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2001-04-18 EP disclosed
WO-2000000633-A1 OCT1p, A PROTEIN HAVING HOMOLOGY TO THE ORGANIC AND SUGAR TRANSPORTER FAMILY OF PROTEINS, AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2000-01-06 WO disclosed