SCHEMBL9717067

SCHEMBL9717067

C=C(CC=CC#N)C(=O)OC.CC(=CC=Cc1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.41
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MCL1 Q07820 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 3/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
APP P05067 1/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL5999282 0.88 LMNA (0.46) LMNAALDH1A1KDM4EMCL1POLB
SCHEMBL671107 0.85 LMNA (0.38) LMNAALDH1A1KDM4EMCL1HPGD
Styrene SCHEMBL465033 0.82 ALDH1A1 (0.36) LMNAALDH1A1KDM4EPOLBMAPT
SCHEMBL5998509 0.79 ELANE (0.36) LMNAALDH1A1HPGDHTTMAPT
SCHEMBL2032564 0.79 LMNA (0.52) LMNAALDH1A1KDM4EPOLBHPGD
SCHEMBL296286 0.78 PAM (0.40) LMNAALDH1A1POLBMAPTSMN1; SMN2
Acrylonitrile SCHEMBL3628806 0.78 PAM (0.46) LMNAALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL5879478 0.78 MCL1 (0.49) LMNAALDH1A1KDM4EMCL1HPGD
Methacrylic Acid SCHEMBL491632 0.76 PAM (0.50) LMNAALDH1A1KDM4EPOLBHTT
Acrylonitrile SCHEMBL1275059 0.76 MCL1 (0.50) LMNAALDH1A1KDM4EMCL1HPGD

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-5151464-A Unsaturated acid-styrene copolymer and anhydride copolymer with styrene for moldings ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1992-09-29 US disclosed