SCHEMBL9217899

SCHEMBL9217899

COc1ccc(OCCCCl)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 0.52
HPGD P15428 6/20 0.50
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 2/20 0.46
KMT2A Q03164 2/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL8903264 0.91 MAPT (0.60) MAPTL3MBTL1TDP1S1PR4HPGD
SCHEMBL11351353 0.90 MAPT (0.53) MAPTL3MBTL1TDP1S1PR4HPGD
SCHEMBL8358492 0.88 MAPT (0.53) MAPTL3MBTL1TDP1S1PR4HPGD
SCHEMBL11097969 0.87 MAPT (0.46) MAPTL3MBTL1TDP1HPGDRAB9A
SCHEMBL9260747 0.87 MAPT (0.49) MAPTL3MBTL1TDP1S1PR4HPGD
SCHEMBL11348370 0.87 S1PR4 (0.51) MAPTL3MBTL1TDP1S1PR4HPGD
SCHEMBL11565117 0.86 MAPT (0.51) MAPTL3MBTL1TDP1S1PR4HPGD
SCHEMBL8536866 0.86 MAPT (0.51) MAPTL3MBTL1TDP1S1PR4HPGD
SCHEMBL8358491 0.85 MAPT (0.50) MAPTL3MBTL1TDP1S1PR4HPGD
SCHEMBL11034225 0.85 MAPT (0.54) MAPTL3MBTL1TDP1S1PR4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320032-B1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-01-18 EP disclosed
EP-0398425-B1 Antirhinoviral piperidinyl, pyrrolidinyl and piperazinyl alkylphenol ethers JANSSEN PHARMACEUTICA NV (BE) 1994-03-16 EP disclosed
US-5231184-A Viricide intermediate JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-27 US disclosed
US-5106973-A Viricide intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1992-04-21 US disclosed
US-4992433-A Viricides JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-12 US disclosed
EP-0398425-A1 Antirhinoviral piperidinyl, pyrrolidinyl and piperazinyl alkylphenol ethers JANSSEN PHARMACEUTICA N.V. (BE) 1990-11-22 EP disclosed
EP-0320032-A1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1989-06-14 EP disclosed