SCHEMBL9717667

SCHEMBL9717667

CC(C)C(NC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
PLA2G2A P14555 1/20 0.46
PLA2G5 P39877 1/20 0.46
FPR2 P25090 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MME P08473 1/20 0.40
SDCBP O00560 1/20 0.40
SDC2 P34741 1/20 0.40

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
SCHEMBL14389451 1.00 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL8752641 1.00 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL193513 0.81 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL13754314 0.81 CA2 (0.43) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL27791579 0.81 CA2 (0.43) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL1203937 0.81 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL1496401 0.81 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL132349 0.81 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL13049754 0.81 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL13049755 0.81 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1LMNAGAAHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364360-B2 Surface coating material, coating film, and hydrophilic oil repellent member MITSUBISHI MATERIALS CORPORATION (JP) 2019-07-30 US disclosed
US-20170210916-A1 SURFACE COATING MATERIAL, COATING FILM, AND HYDROPHILIC OIL REPELLENT MEMBER MITSUBISHI MATERIALS CORPORATION (JP) 2017-07-27 US disclosed
EP-0493683-A1 Fungicidal amino acid amides AMERICAN CYANAMID COMPANY (US) 1992-07-08 EP disclosed