SCHEMBL21606321

SCHEMBL21606321

O=C(CCP(c1ccccc1)c1ccccc1)NC(O)C(O)NC(=O)CCP(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ASAH1 Q13510 1/20 0.36
ACER2 Q5QJU3 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
CNR2 P34972 2/20 0.34
POLB P06746 1/20 0.34
MME P08473 2/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ACE P12821 1/20 0.33

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
SCHEMBL1095111 0.75 KEAP1 (0.46) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL10836830 0.74 POLB (0.50) ALDH1A1ASAH1ACER2SMN1; SMN2CYP1A2
SCHEMBL9517922 0.74 KEAP1 (0.45) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL10728992 0.72 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL9858681 0.72 KDM4E (0.43) MAPTSMN1; SMN2CYP1A2CYP2D6TSHR
SCHEMBL10732000 0.71 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2TSHRPOLB
SCHEMBL22922972 0.71 EPHX2 (0.43) ALDH1A1TSHRCYP2C19POLB
SCHEMBL29979370 0.71 EPHX2 (0.43) ALDH1A1TSHRCYP2C19POLB
SCHEMBL28457741 0.71 ALDH1A1 (0.33) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL1723688 0.71 KEAP1 (0.33) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6

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-2019243580-A1 PHENYLPHOSPHINO COMPOUNDS AS PROCESS STABILIZERS CLARIANT PLASTICS & COATINGS LTD (CH) 2019-12-26 WO disclosed