SCHEMBL11433262

SCHEMBL11433262

COc1ccc(OCCCCI)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.54
L3MBTL1 Q9Y468 7/20 0.54
TDP1 Q9NUW8 2/20 0.54
S1PR4 O95977 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
HPGD P15428 7/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
PPARA Q07869 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 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
SCHEMBL11444316 0.98 MAPT (0.53) MAPTL3MBTL1TDP1S1PR4MRGPRX4
SCHEMBL8535069 0.98 MAPT (0.53) MAPTL3MBTL1TDP1S1PR4MRGPRX4
SCHEMBL8902457 0.98 MAPT (0.53) MAPTL3MBTL1TDP1S1PR4MRGPRX4
SCHEMBL8536556 0.98 MAPT (0.53) MAPTL3MBTL1TDP1S1PR4MRGPRX4
SCHEMBL8539012 0.98 MAPT (0.53) MAPTL3MBTL1TDP1S1PR4MRGPRX4
SCHEMBL11565117 0.95 MAPT (0.51) MAPTL3MBTL1TDP1S1PR4MRGPRX4
SCHEMBL8903264 0.90 MAPT (0.60) MAPTL3MBTL1TDP1S1PR4MRGPRX4
SCHEMBL8536746 0.86 MAPT (0.53) MAPTL3MBTL1TDP1S1PR4HPGD
SCHEMBL9217899 0.85 MAPT (0.54) MAPTL3MBTL1TDP1S1PR4MRGPRX4
SCHEMBL11353797 0.84 S1PR4 (0.50) MAPTL3MBTL1TDP1S1PR4MRGPRX4

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
US-4217346-A Arylalkyl and aryloxyalkyl phosphonates as antiviral agents STERLING DRUG INC. (US) 1980-08-12 US disclosed
US-4182759-A Arylalkyl and aryloxyalkyl phosphonates and use as antiviral agents STERLING DRUG INC. (US) 1980-01-08 US disclosed