SCHEMBL3469080

SCHEMBL3469080

C=C(C)C(=O)OC.C=C(C)c1ccccc1.CC(=CC=Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.45
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
GAA P10253 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 1/20 0.40
AKR1C3 P42330 1/20 0.39
ELANE P08246 1/20 0.38

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
SCHEMBL2032564 0.94 LMNA (0.52) LMNAALDH1A1KDM4EPOLBHPGD
SCHEMBL8138457 0.85 ALDH1A1 (0.56) LMNAALDH1A1KDM4EPOLBHPGD
SCHEMBL5999583 0.84 LMNA (0.58) LMNAALDH1A1KDM4EPOLBHPGD
SCHEMBL482707 0.83 CA12 (0.44) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL11523182 0.83 LMNA (0.50) LMNAALDH1A1KDM4EPOLBHPGD
Methacrylic Acid SCHEMBL5875032 0.82 AKR1C3 (0.52) LMNAALDH1A1KDM4EPOLBCYP1A2
Acrylic Acid Ethyl Ester SCHEMBL9161269 0.82 ALDH1A1 (0.49) LMNAALDH1A1KDM4EPOLBHPGD
SCHEMBL1413964 0.81 ALDH1A1 (0.58) LMNAALDH1A1KDM4EPOLBHPGD
SCHEMBL11130616 0.81 LMNA (0.45) LMNAALDH1A1KDM4EPOLBHPGD
Styrene SCHEMBL3469079 0.80 ALDH1A1 (0.43) LMNAALDH1A1KDM4EPOLBMEN1

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-20100035171-A1 YELLOW TONER CANON KABUSHIKI KAISHA (JP) 2010-02-11 US disclosed