SCHEMBL16784835

SCHEMBL16784835

COc1ccc(C)c(OCC(=O)O)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ PDE4D Q08499 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ MIF P14174 1/20 0.49
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CTSD P07339 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL6129096 0.86 POLB (0.65) SMN1; SMN2POLBPDE4DALDH1A1HPGD
SCHEMBL6743332 0.83 POLB (0.62) SMN1; SMN2POLBALDH1A1HPGDMIF
SCHEMBL16784834 0.83 ALDH1A1 (0.52) POLBALDH1A1HPGDKMT2AMEN1
SCHEMBL1434844 0.82 PDE4D (0.60) SMN1; SMN2POLBPDE4DALDH1A1HPGD
SCHEMBL16784832 0.82 ALOX15 (0.58) SMN1; SMN2POLBPDE4DALDH1A1HPGD
SCHEMBL29184862 0.81 PDE4D (0.58) SMN1; SMN2POLBPDE4DALDH1A1HPGD
SCHEMBL885177 0.80 PDE4D (0.57) SMN1; SMN2POLBPDE4DALDH1A1HPGD
SCHEMBL14060872 0.79 L3MBTL1 (0.47) SMN1; SMN2POLBKMT2AKDM4ETDP1
SCHEMBL6744642 0.79 SMN1; SMN2 (0.70) SMN1; SMN2POLBALDH1A1HPGDKMT2A
SCHEMBL14749777 0.78 CYP2C9 (0.55) SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E

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-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 — — US disclosed
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