SCHEMBL4389522

SCHEMBL4389522

CCOC(=O)c1c(O)c2cccc(C)c2oc1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
KDM4E B2RXH2 5/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
VKORC1 Q9BQB6 1/20 0.48
RECQL P46063 2/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL27517970 0.88 ALDH1A1 (0.53) ALDH1A1CA12CA9KDM4EMAOA
SCHEMBL2761680 0.84 ALDH1A1 (0.60) ALDH1A1CA12CA1CA2CA7
SCHEMBL8381781 0.81 MCL1 (0.54) ALDH1A1CA12CA9KDM4ECYP3A4
SCHEMBL8443505 0.81 ALDH1A1 (1.00) ALDH1A1CA12CA9KDM4EVKORC1
SCHEMBL2762033 0.75 EGLN1 (0.47)
SCHEMBL27517887 0.75 ALDH1A1 (0.46) ALDH1A1CA12CA9KDM4ENPC1
SCHEMBL1590707 0.74 ALDH1A1 (0.65) ALDH1A1CA12CA1CA2CA7
SCHEMBL2761993 0.74 ALDH1A1 (0.48) ALDH1A1CA12CA1CA2CA7
SCHEMBL8106509 0.74 AKR1B1 (0.56) MAOBMEN1KMT2AL3MBTL1
SCHEMBL28260156 0.73 CA12 (0.58) ALDH1A1CA12CA1CA2CA7

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-7629400-B2 Image making medium HYMAN SYDNEY 2009-12-08 US disclosed
US-20030035917-A1 Image making medium HYMAN SYDNEY (US) 2003-02-20 US disclosed