SCHEMBL4764345

SCHEMBL4764345

Cc1cc(Cl)ccc1-c1cc(F)cc2c1O[C@H](C)C2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.56
PARP1 P09874 4/20 0.45
NOTUM Q6P988 2/20 0.34
BRD4 O60885 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
HTR1A P08908 1/20 0.32
CREBBP Q92793 1/20 0.31
PGR P06401 1/20 0.31
CASP3 P42574 1/20 0.31
SLC6A4 P31645 1/20 0.30
MAPK14 Q16539 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
SCHEMBL4596827 0.90 AQP1 (0.53) AQP1PARP1BRD4L3MBTL1HTR1A
SCHEMBL4712234 0.88 AQP1 (0.67) AQP1PARP1BRD4HTR1ACREBBP
SCHEMBL4764341 0.86 AQP1 (0.55) AQP1PARP1NOTUML3MBTL1MAPK14
SCHEMBL4713102 0.85 AQP1 (0.54) AQP1PARP1BRD4L3MBTL1HTR1A
SCHEMBL14113467 0.84 AQP1 (0.80) AQP1PARP1NOTUML3MBTL1SLC6A4
SCHEMBL4229976 0.84 AQP1 (0.62) AQP1NOTUML3MBTL1
SCHEMBL5605280 0.84 AQP1 (0.58) AQP1NOTUML3MBTL1
SCHEMBL4226033 0.84 AQP1 (0.80) AQP1PARP1NOTUML3MBTL1SLC6A4
SCHEMBL4229969 0.84 AQP1 (0.62) AQP1NOTUML3MBTL1
SCHEMBL4762568 0.82 PARP1 (0.48) AQP1PARP1BRD4HTR1ACREBBP

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
EP-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP claimed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO claimed