SCHEMBL8003552

SCHEMBL8003552

C=C(OP(=O)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.48
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 3/20 0.39
USP2 O75604 2/20 0.39
ALOX15 P16050 2/20 0.39
POLB P06746 1/20 0.38
CFTR P13569 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
GAA P10253 2/20 0.35
ESR1 P03372 1/20 0.35
PKM P14618 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL7515897 0.80 ELANE (0.41) ALDH1A1L3MBTL1CA2CA4CA5A
SCHEMBL27913323 0.79 ALDH1A1 (0.48) ALDH1A1L3MBTL1CA2CA4CA5A
SCHEMBL7525048 0.78 L3MBTL1 (0.48) ALDH1A1L3MBTL1CA2CA4CA5A
SCHEMBL7513602 0.76 ALDH1A1 (0.42) ALDH1A1L3MBTL1CA2CA4CA5A
SCHEMBL6143517 0.75 ALDH1A1 (0.50) ALDH1A1L3MBTL1CA2CA4CA5A
SCHEMBL28999696 0.74 TSHR (0.47) ALDH1A1L3MBTL1CA2CA4CA5A
SCHEMBL28977737 0.73 POLB (0.47) ALDH1A1L3MBTL1CA2CA4CA5A
SCHEMBL1604197 0.73 LMNA (0.52) ALDH1A1L3MBTL1CA2CA4CA5A
SCHEMBL28366936 0.71 ALDH1A1 (0.55) ALDH1A1L3MBTL1CA2CA4CA5A
SCHEMBL28367430 0.71 TSHR (0.47) ALDH1A1L3MBTL1CA2CA4CA5A

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
WO-2000020465-A1 NOVEL CHAIN TRANSFER AGENTS THE UNIVERSITY OF AKRON (US) 2000-04-13 WO disclosed