SCHEMBL11317878

SCHEMBL11317878

CCC1(/C(C(=O)O)=C(\C)C(=O)O)COC(c2ccccc2)OC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CYP2C19 P33261 1/20 0.45
BRD4 O60885 1/20 0.41
KCNA4 P22459 1/20 0.40
KCNA1 Q09470 1/20 0.40
KCNAB1 Q14722 1/20 0.40
MAPK1 P28482 1/20 0.39
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 2/20 0.33
HTT P42858 1/20 0.33
F2R P25116 1/20 0.32
RIPK1 Q13546 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM1A O60341 4/20 0.32

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
SCHEMBL11317882 1.00 KMT2A (0.45) KMT2AMEN1CYP2C19BRD4KCNA4
SCHEMBL9619377 0.83 MEN1 (0.53) KMT2AMEN1CYP2C19BRD4KCNA4
SCHEMBL11322542 0.78
SCHEMBL11322537 0.78
SCHEMBL11322532 0.77
SCHEMBL11322529 0.77
SCHEMBL11331780 0.74
SCHEMBL11326786 0.74
SCHEMBL11330776 0.71
SCHEMBL11334340 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4255530-A COMPRISING A COPOLYMER OF AN ALIPHATIC ESTER OF (METH)ACRYLIC ACID AND A SIMILAR ESTER HAVING 2-4 HYDROXYL GROUPS AND/OR A 5-M-DIOXANYLMETHYL MALEIC ACID SEMI-ESTER; COATINGS BAYER AKTIENGESELLSCHAFT (DE) 1981-03-10 US disclosed