SCHEMBL7149586

SCHEMBL7149586

Oc1ccc(C2CCC(O)CC2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 8/20 0.55
QDPR P09417 5/20 0.46
ACMSD Q8TDX5 2/20 0.41
PDK2 Q15119 1/20 0.36
ESR1 P03372 3/20 0.36
WDR5 P61964 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL7149585 1.00 ESR2 (0.55) ESR2QDPRACMSDPDK2ESR1
SCHEMBL15729348 0.92 QDPR (0.50) ESR2QDPRACMSDESR1WDR5
SCHEMBL30746608 0.92 QDPR (0.50) ESR2QDPRACMSDESR1WDR5
SCHEMBL10021047 0.85 ACMSD (0.51) ESR2QDPRACMSDESR1HDAC4
SCHEMBL14817246 0.85 ESR2 (0.53) ESR2QDPRPDK2
SCHEMBL21237804 0.84 ESR2 (0.56) ESR2QDPRACMSDESR1WDR5
SCHEMBL21630424 0.83 ACMSD (0.57) ESR2QDPRACMSDPDK2HDAC4
SCHEMBL30215678 0.83 ACMSD (0.57) ESR2QDPRACMSDPDK2HDAC4
SCHEMBL13072706 0.83 ACMSD (0.57) ESR2QDPRACMSDPDK2HDAC4
SCHEMBL19355973 0.81 QDPR (0.73) ESR2QDPRESR1HDAC4HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983225-B1 NEW POLYMERISABLE LIQUID CRYSTALLINE COMPOUNDS ROLIC AG (CH) 2003-12-17 EP disclosed
US-6395351-B1 MIXTURE; OPTICS ROLIC AG (CH) 2002-05-28 US disclosed
EP-0983225-A1 NEW POLYMERISABLE LIQUID CRYSTALLINE COMPOUNDS Rolic AG (CH) 2000-03-08 EP disclosed
WO-1998052905-A1 NEW POLYMERISABLE LIQUID CRYSTALLINE COMPOUNDS ROLIC AG (CH) 1998-11-26 WO disclosed