SCHEMBL28037894

SCHEMBL28037894

CCP(=O)(O)c1ccccc1.[Ce]

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.64
ALDH1A1 P00352 4/20 0.55
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA5A P35218 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TSHR P16473 3/20 0.52
GAA P10253 2/20 0.52
PKM P14618 1/20 0.52
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX15 P16050 1/20 0.43
USP2 O75604 1/20 0.43
ESR1 P03372 1/20 0.43

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
SCHEMBL575313 0.98 CFTR (0.67) CFTRALDH1A1CA2CA4CA5A
SCHEMBL28037923 0.95 CFTR (0.64) CFTRALDH1A1CA2CA4CA5A
SCHEMBL28037547 0.95 CFTR (0.64) CFTRALDH1A1CA2CA4CA5A
SCHEMBL28241445 0.95 CFTR (0.64) CFTRALDH1A1CA2CA4CA5A
SCHEMBL28037546 0.95 CFTR (0.64) CFTRALDH1A1CA2CA4CA5A
SCHEMBL25332096 0.95 CFTR (0.64) CFTRALDH1A1CA2CA4CA5A
SCHEMBL11431505 0.85 CFTR (0.48) CFTRALDH1A1CA2CA4CA5A
SCHEMBL14809684 0.80 CFTR (0.75) CFTRALDH1A1CA2CA4CA5A
SCHEMBL806049 0.78 CFTR (1.00) CFTRALDH1A1CA2CA4CA5A
SCHEMBL17537488 0.78 CFTR (0.73) CFTRALDH1A1CA2CA4CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105017311-B Rare earth phenylethyl phosphinate, and synthesis method and application thereof 广东华南精细化工研究院有限公司 2017-04-19 CN disclosed
CN-105017311-A Rare earth phenylethyl phosphinate, and synthesis method and application thereof GUANGDONG HUANAN FINE CHEMICAL INDUSTRY RES INST CO LTD 2015-11-04 CN disclosed