SCHEMBL13952042

SCHEMBL13952042

CCN(CC(O)COc1ccccc1)CC(O)COc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.78
▸ ABCB1 P08183 5/20 0.55
▸ LMNA P02545 1/20 0.55
▸ MAPK1 P28482 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ CYP2D6 P10635 2/20 0.53
▸ ADRB2 P07550 1/20 0.53
▸ ADRB1 P08588 1/20 0.53
▸ ADRB3 P13945 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ MAPT P10636 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ GAA P10253 1/20 0.50

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
SCHEMBL10760842 0.97 POLB (0.78) POLBABCB1LMNAMAPK1KDM4E
SCHEMBL6931910 0.85 MAPK1 (0.69) POLBLMNAMAPK1KDM4ETDP1
SCHEMBL258823 0.82 HIF1A (0.75) POLBABCB1LMNACYP2D6ADRB2
SCHEMBL31414644 0.81 ALDH1A1 (0.67) POLBLMNAMAPK1KDM4ETDP1
SCHEMBL6027881 0.81 POLB (0.81) POLBLMNAMAPK1KDM4ECYP2D6
SCHEMBL13246331 0.81 POLB (0.58) POLBLMNAMAPK1KDM4ETDP1
SCHEMBL13866493 0.81 POLB (0.81) POLBLMNAMAPK1KDM4ECYP2D6
SCHEMBL31414645 0.81 ALDH1A1 (0.67) POLBLMNAMAPK1KDM4ETDP1
SCHEMBL759782 0.81 ALDH1A1 (0.67) POLBLMNAMAPK1KDM4ETDP1
SCHEMBL11882594 0.81 MAPK1 (0.63) POLBLMNAMAPK1KDM4ETDP1

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
WO-2009018588-A2 POLYURETHANE COATING THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-02-05 — — WO disclosed
Send feedback