SCHEMBL9259082

SCHEMBL9259082

CCCC1CCC(COc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
TDP1 Q9NUW8 1/20 0.46
RIPK1 Q13546 1/20 0.45
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL8042599 1.00 CARM1 (0.50) CARM1PRMT6TDP1RIPK1PARP15
SCHEMBL8078580 0.95 CARM1 (0.47) CARM1PRMT6TDP1RIPK1PARP15
SCHEMBL8528814 0.95 CARM1 (0.47) CARM1PRMT6TDP1RIPK1PARP15
SCHEMBL8528819 0.95 CARM1 (0.47) CARM1PRMT6TDP1RIPK1PARP15
SCHEMBL1990800 0.87 TDP1 (0.57) CARM1PRMT6TDP1PARP15PARP10
SCHEMBL8081852 0.86 LTA4H (0.50)
SCHEMBL8529857 0.86 LTA4H (0.50)
SCHEMBL9344709 0.84 LTA4H (0.53) DRD2
SCHEMBL9344705 0.84 LTA4H (0.53) DRD2
SCHEMBL11312915 0.84 PARP15 (0.46) TDP1PARP15PARP10PARP2

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
US-5454975-A Electrooptical display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-10-03 US disclosed
EP-0308747-B1 TOLAN COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1991-08-21 EP disclosed
US-4895672-A Tolan compound and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1990-01-23 US disclosed
EP-0308747-A2 Tolan compound and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1989-03-29 EP disclosed