SCHEMBL4959672

SCHEMBL4959672

CC(=O)NCC1Cc2cccc(-c3ccc(Cl)cc3Cl)c2O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.53
EZH2 Q15910 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MTNR1A P48039 6/20 0.39
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38

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
SCHEMBL4964691 0.91 AQP1 (0.43) AQP1EZH2MTNR1AS1PR2S1PR4
SCHEMBL4964699 0.91 AQP1 (0.43) AQP1EZH2MTNR1AS1PR2S1PR4
SCHEMBL4225278 0.90 AQP1 (0.52) AQP1EZH2SMN1; SMN2ALDH1A1HPGD
SCHEMBL13992999 0.89 AQP1 (0.45) AQP1ALDH1A1HPGDNPC1CYP2C19
SCHEMBL4596131 0.85 AQP1 (0.71) AQP1EZH2SMN1; SMN2ALDH1A1HPGD
SCHEMBL13992998 0.84 AQP1 (0.53) AQP1EZH2CYP2C19MTNR1AMTNR1B
SCHEMBL4228388 0.83 AQP1 (0.44) AQP1EZH2ALDH1A1HPGDNPC1
Hydrochloric Acid SCHEMBL6000525 0.83 PRKAB2 (0.44) AQP1ALDH1A1HPGDNPC1CYP2C19
SCHEMBL4230182 0.81 AQP1 (0.42) AQP1EZH2HPGDS1PR2S1PR4
SCHEMBL4226305 0.81 CHRM1 (0.44) AQP1EZH2ALDH1A1NPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470799-B2 Dihydrobenzofuran derivatives and uses thereof WYETH (US) 2008-12-30 US disclosed
US-7470799-B2 Dihydrobenzofuran derivatives and uses thereof WYETH (US) 2008-12-30 US disclosed
US-7470799-B2 Dihydrobenzofuran derivatives and uses thereof WYETH (US) 2008-12-30 US disclosed
EP-1871754-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
WO-2006116136-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
US-20060246551-A1 Dihydrobenzofuran derivatives and uses thereof WYETH (US) 2006-11-02 US disclosed