SCHEMBL7723342

SCHEMBL7723342

CCCCCC1CCC(COc2ccc(I)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ACACB O00763 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL9591085 0.89 NR5A1 (0.44)
SCHEMBL9591079 0.89 NR5A1 (0.44)
SCHEMBL9346047 0.88 NR5A1 (0.45) PARP15PARP10PARP2TDP1
SCHEMBL9590511 0.87 NR5A1 (0.41) PARP15PARP10PARP2TDP1
SCHEMBL9344417 0.86 NR5A1 (0.47) PARP15PARP10PARP2TDP1
SCHEMBL9344226 0.86 NR5A1 (0.47) PARP15PARP10PARP2TDP1
SCHEMBL9349205 0.86 NR5A1 (0.47) PARP15PARP10PARP2TDP1
SCHEMBL9346256 0.86 NR5A1 (0.47) PARP15PARP10PARP2TDP1
SCHEMBL9345672 0.86 NR5A1 (0.47) PARP15PARP10PARP2TDP1
SCHEMBL9344273 0.86 NR5A1 (0.47) PARP15PARP10PARP2TDP1

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-6372153-B1 HIGHER DIELECTRIC ANISOTROPY, EXCELLENT IN MISCIBILITY WITH OTHER LIQUID CRYSTALLINE COMPOUNDS, LOW VISCOSITY, STABLE CHEMICALLY AND PHYSICALLY CHISSO CORPORATION (JP) 2002-04-16 US disclosed
EP-1020423-A1 FLUOROALKOXYBENZENE DERIVATIVES HAVING ETHER BOND, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2000-07-19 EP disclosed