SCHEMBL3959577

SCHEMBL3959577

CC(=O)N/C(C(=O)O)=C(\C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
GLA P06280 1/20 0.46
RAB9A P51151 1/20 0.46
CYP19A1 P11511 3/20 0.45
CES1 P23141 2/20 0.43
CES2 O00748 1/20 0.43
GAA P10253 1/20 0.43
EPHX1 P07099 1/20 0.43
TSHR P16473 2/20 0.42
NAPRT Q6XQN6 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CACNA1B Q00975 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
SCHEMBL2331029 1.00 SMN1; SMN2 (0.51) SMN1; SMN2TDP1ALDH1A1KDM4EKMT2A
Methyl Alcohol SCHEMBL8740643 0.98 SMN1; SMN2 (0.50) SMN1; SMN2TDP1ALDH1A1KDM4EKMT2A
SCHEMBL2331227 0.83 TSHR (0.47) ALDH1A1KDM4EKMT2AMAPTL3MBTL1
SCHEMBL2331231 0.83 TSHR (0.47) ALDH1A1KDM4EKMT2AMAPTL3MBTL1
SCHEMBL2331221 0.83 TSHR (0.47) ALDH1A1KDM4EKMT2AMAPTL3MBTL1
SCHEMBL6142291 0.81 CES2 (0.49) SMN1; SMN2TDP1ALDH1A1KDM4EKMT2A
SCHEMBL8654881 0.80 CA1 (0.52) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL8655472 0.77 LCK (0.48) SMN1; SMN2TDP1KMT2AMAPTNPC1
SCHEMBL15347751 0.75 ALDH1A1 (0.42) SMN1; SMN2TDP1ALDH1A1KDM4EKMT2A
SCHEMBL863064 0.74 ALDH1A1 (0.63) SMN1; SMN2TDP1ALDH1A1KDM4EKMT2A

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-2009030626-A1 NEW PHOSPHINE-PHOSPHITE LIGANDS INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) 2009-03-12 WO disclosed