SCHEMBL20224973

SCHEMBL20224973

O=C(CCCc1cnc2ccccc2c1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
MAPK1 P28482 2/20 0.53
CFTR P13569 1/20 0.47
MGAM O43451 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX5 P09917 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
FAAH O00519 2/20 0.42
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL20224966 0.85 HDAC1 (0.46) L3MBTL1MAPK1ALDH1A1ALOX5HDAC3
SCHEMBL20346355 0.84 ALDH1A1 (0.59) L3MBTL1MAPK1CFTRMGAMALDH1A1
SCHEMBL5199025 0.83 CYP1A2 (0.60) MAPK1CFTRMGAMHDAC3HDAC4
SCHEMBL9011265 0.79 HDAC3 (0.53) CFTRMGAMALDH1A1HDAC3HDAC1
SCHEMBL14368556 0.79 TDP1 (0.61) L3MBTL1MAPK1ALDH1A1ALOX5HDAC3
SCHEMBL17288844 0.79 TRPV1 (0.48) CFTRMGAMHDAC3HDAC4HDAC1
SCHEMBL5197022 0.79 CYP1A2 (0.55) MAPK1CFTRMGAMHDAC3HDAC4
SCHEMBL20224983 0.79 L3MBTL1 (0.47) L3MBTL1MAPK1ALDH1A1CASP1SMN1; SMN2
SCHEMBL3861037 0.78 MAPT (0.52) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6614214 0.78 PDGFRB (0.50) CFTRMGAMALDH1A1SMN1; SMN2RAB9A

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-20180154332-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING ION PAIRED-BONDED PHASES FOR SUPERCRITICAL FLUID CHROMATOGRAPHY WATERS TECHNOLOGIES CORPORATION 2018-06-07 US disclosed