SCHEMBL9792015

SCHEMBL9792015

COC(=O)c1ccc(C2[C@]3(O)C(O)C(c4ccc(OC)cc4)[C@]3(O)[C@]2(O)[C@H](O)CO)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MAPT P10636 5/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 4/20 0.35
THRB P10828 1/20 0.35
ALOX12 P18054 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPBWR1 P48145 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
SCHEMBL8555860 0.94 NPC1 (0.37) CA1CA2MAPTKMT2AMEN1
SCHEMBL812653 0.90 SLC5A2 (0.34) CA1CA2KMT2AMEN1KDM4E
SCHEMBL9791980 0.90 PLK1 (0.47) CA1CA2KMT2AMEN1LMNA
SCHEMBL9791917 0.90 PLK1 (0.47) CA1CA2KMT2AMEN1LMNA
SCHEMBL9791934 0.89 PARP10 (0.45) CA1CA2MAPTKMT2AMEN1
SCHEMBL9792009 0.89 CYP4A11 (0.37) CA1CA2MAPTKMT2AMEN1
SCHEMBL9791994 0.84 RAB9A (0.46) MAPTKMT2AMEN1LMNANPC1
SCHEMBL9791984 0.84 CYP4F2 (0.41) CA1CA2MAPTKMT2AMEN1
SCHEMBL9792026 0.82 HPGD (0.35) CA2SMN1; SMN2
SCHEMBL9791992 0.81 ALDH1A1 (0.37) MAPTLMNAALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4996334-A Dibenzylidenesorbitols for gelatinizing oils and liquids, increasing transparency and rigidity in resins, improving viscosity of coatings and stabilizing emulsions MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1991-02-26 US disclosed