SCHEMBL29958499

SCHEMBL29958499

CC(=O)c1c[nH]c(C(=O)NCCCCCC(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ADRA1A P35348 1/20 0.47
AKR1C3 P42330 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.47
SMYD3 Q9H7B4 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ITGB3 P05106 5/20 0.46
ITGA2B P08514 5/20 0.46

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
SCHEMBL29953018 0.94 MEN1 (0.52) MAPK1MEN1KMT2APOLBALDH1A1
SCHEMBL29953684 0.89 SMYD3 (0.51) MEN1KMT2APOLBALDH1A1AKR1C3
SCHEMBL5655124 0.80 MAPK1 (0.68) MAPK1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL27563409 0.73 LMNA (0.68) MAPK1POLBSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL14088976 0.73 HDAC3 (0.74) MAPK1CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL24316125 0.72 MAPK1 (0.76) MAPK1POLBSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL29957012 0.72 ITGB3 (0.44) MEN1KMT2APOLBALDH1A1SMYD3
SCHEMBL29191072 0.72 MEN1 (0.70) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL428355 0.71 MAPK1 (1.00) MAPK1POLBSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL18912261 0.70 CYP1A2 (0.55) MAPK1POLBSMN1; SMN2ALDH1A1CYP1A2

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed