SCHEMBL6977599

SCHEMBL6977599

C=C(CC=Cc1ccccc1)C(=O)O.C=CCOC(=O)C(=C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
PAM P19021 1/20 0.44
ALDH1A1 P00352 4/20 0.42
ALOX12 P18054 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 1/20 0.39
MAOB P27338 3/20 0.39
CACNA1B Q00975 1/20 0.37
CASP1 P29466 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAOA P21397 2/20 0.36

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
SCHEMBL15194916 0.94 MEN1 (0.42) MAPTMEN1KMT2AMAPK1KDM4E
SCHEMBL7199351 0.87 MEN1 (0.49) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL2490104 0.87 PAM (0.51) MAPTMEN1KMT2AMAPK1KDM4E
SCHEMBL208005 0.85 PAM (0.46) MAPTMEN1KMT2AMAPK1KDM4E
SCHEMBL2032565 0.84 PAM (0.49) MAPTMEN1KMT2AKDM4ELMNA
Butadiene SCHEMBL1681602 0.84 PAM (0.49) MAPTMEN1KMT2AMAPK1KDM4E
Methacrylic Acid SCHEMBL5875035 0.84 PAM (0.58) MAPTLMNAPAMALDH1A1MAOB
Acrylic Acid SCHEMBL2456212 0.83 PAM (0.40) MAPTMEN1KMT2AMAPK1KDM4E
SCHEMBL5386590 0.83 TDP1 (0.47) MEN1KMT2AMAPK1KDM4EPAM
Methacrylic Acid SCHEMBL20574356 0.83 CACNA1B (0.48) MAPTPAMALDH1A1CACNA1BRECQL

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-20040171718-A1 Water-based cyan ink for ink-jet printing, color ink set containing the same and image forming method using the ink set KONICA MINOLTA HOLDINGS, INC. (JP) 2004-09-02 US disclosed