SCHEMBL4787351

SCHEMBL4787351

O=C(O)CC(O)C(=O)NO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ SLC22A6 Q4U2R8 1/20 0.46
▸ FOLH1 Q04609 3/20 0.43
▸ GABRR1 P24046 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ECE1 P42892 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HDAC9 Q9UKV0 2/20 0.36
▸ HDAC5 Q9UQL6 2/20 0.36
▸ KDM2A Q9Y2K7 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ KDM6B O15054 1/20 0.35
▸ KDM5C P41229 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ PHF8 Q9UPP1 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ MEP1B Q16820 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
SCHEMBL4787354 0.79 FOLH1 (0.40) FOLH1ECE1HDAC7HDAC8HDAC6
SCHEMBL14667663 0.79 SMN1; SMN2 (0.55) SMN1; SMN2SLC22A6GABRR1LMNATDP1
SCHEMBL6412296 0.77 ECE1 (0.42) FOLH1LMNAECE1HDAC7HDAC8
SCHEMBL11414379 0.77 SMN1; SMN2 (0.52) SMN1; SMN2SLC22A6GABRR1LMNATDP1
SCHEMBL27261261 0.73 SMN1; SMN2 (0.48) SMN1; SMN2SLC22A6GABRR1LMNATDP1
SCHEMBL27578968 0.72 TSHR (0.46) SLC22A6FOLH1LMNAECE1TDP1
SCHEMBL1419558 0.72 FOLH1 (0.41) SLC22A6FOLH1GABRR1LMNAECE1
Malic Acid SCHEMBL256122 0.71 — —
Malic Acid SCHEMBL89131 0.71 SMN1; SMN2 (1.00) SMN1; SMN2SLC22A6GABRR1LMNATDP1
Malic Acid SCHEMBL31673494 0.71 — —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008119028-A1 ALKENYLDIARYLMETHANES HAVING NITROGEN-CONTAINING CARBOXYLIC ACID DERIVATIVES CUSHMAN MARK S (US) 2008-10-02 — — WO claimed
US-5733342-A BUILDERS AND BLEACH STABILIZERS IN DETERGENTS AND CLEANING COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1998-03-31 — — US disclosed
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