SCHEMBL22335663

SCHEMBL22335663

C=C/C(=C\C=C/C)P(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALOX15 P16050 2/20 0.42
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA5A P35218 1/20 0.35
ESR1 P03372 1/20 0.34
LMNA P02545 2/20 0.33
AKT1 P31749 1/20 0.32
CFTR P13569 1/20 0.32
PKM P14618 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 2/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL19057593 0.86 TSHR (0.44) TSHRALOX15KMT2AL3MBTL1CA2
SCHEMBL20627786 0.84 ALOX15 (0.31) TSHRALOX15
SCHEMBL19999958 0.83 LMNA (0.31) TSHRALOX15KMT2ALMNAMEN1
SCHEMBL22780801 0.78 MAOA (0.31)
SCHEMBL25601966 0.78 NR1I3 (0.37) L3MBTL1LMNA
SCHEMBL21186367 0.77 KMT2A (0.43) TSHRALOX15KMT2AL3MBTL1CA2
SCHEMBL24975959 0.76 KMT2A (0.39) TSHRALOX15KMT2AL3MBTL1CA2
SCHEMBL19778904 0.76 TSHR (0.44) TSHRALOX15KMT2AL3MBTL1CA2
SCHEMBL25134457 0.74 TSHR (0.43) TSHRALOX15KMT2ACA2CA4
SCHEMBL19778561 0.73 KMT2A (0.42) TSHRALOX15KMT2AL3MBTL1CA2

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-2020161179-A1 COMPOUND AND AN ORGANIC SEMICONDUCTING LAYER, AN ORGANIC ELECTRONIC DEVICE AND A DISPLAY OR LIGHTING DEVICE COMPRISING THE SAME NOVALED GMBH (DE) 2020-08-13 WO disclosed