SCHEMBL4623615

SCHEMBL4623615

O=C(O)C=C=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39
TSHR P16473 4/20 0.38
ALOX15 P16050 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
DAO P14920 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HDAC3 O15379 1/20 0.35
TNKS O95271 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HDAC7 Q8WUI4 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
SCHEMBL28559352 0.74 HCAR2 (0.53) CA4CA5AALDH1A1KMT2AHCAR2
Acetic Acid SCHEMBL19208997 0.67 KMT2A (0.41) CA2CA4CA5ATSHRALOX15
SCHEMBL564408 0.66 CA2 (0.43) CA2CA4CA5ATSHRALOX15
SCHEMBL814 0.65 HSP90AA1 (0.59) CA2CA4CA5ATSHRALOX15
SCHEMBL6327852 0.65 CA2 (0.41) CA2CA4CA5ATSHRALOX15
SCHEMBL29609286 0.64 CA2 (0.42) CA2CA4CA5ATSHRALOX15
SCHEMBL28087904 0.64 CA2 (0.42) CA2CA4CA5ATSHRALOX15
SCHEMBL3957389 0.64 CA2 (0.42) CA2CA4CA5ATSHRALOX15
SCHEMBL15397878 0.64 CA2 (0.42) CA2CA4CA5ATSHRALOX15
SCHEMBL20489348 0.64 LMNA (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0860455-B1 Photocrosslinkable polymers ROLIC AG (CH) 2008-06-04 EP disclosed
US-6632909-B2 Alkylenedi- acrylates and acrylamides containing phenyl groups substituted with at least two alkoxy or fluoroalkoxy groups; use in orientation layers for liquid crystals, and in optical components, in particular hybrid layer elements. ROLIC AG (CH) 2003-10-14 US disclosed
US-20020061996-A1 Photocrosslinkable polymers BUCHECKER RICHARD (CH) 2002-05-23 US disclosed
EP-0860455-A2 Photocrosslinkable polymers Rolic AG (CH) 1998-08-26 EP disclosed