SCHEMBL8042599

SCHEMBL8042599

CCC[C@H]1CC[C@H](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
SCHEMBL9259082 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0833876-B1 NEMATIC LIQUID-CRYSTAL COMPOSITION MERCK PATENT GMBH (DE) 2000-09-13 EP disclosed
EP-0513262-B1 3,6-DISUBSTITUTED 2-FLUOROPYRIDINES MERCK PATENT GMBH (DE) 2000-04-05 EP disclosed
EP-0449015-B1 Difluoromethyl compounds and liquid criystal medium MERCK PATENT GMBH (DE) 1998-07-01 EP disclosed
EP-0833876-A1 NEMATIC LIQUID-CRYSTAL COMPOSITION MERCK PATENT GmbH (DE) 1998-04-08 EP disclosed
WO-1997000924-A1 NEMATIC LIQUID-CRYSTAL COMPOSITION MERCK PATENT GMBH (DE) 1997-01-09 WO disclosed
US-5454975-A Electrooptical display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-10-03 US disclosed
US-5389291-A Components of liquid crystalline media MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
US-5273680-A A chiral tilted smectic liquid crystal based on terphenyls MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-12-28 US disclosed
EP-0357727-B1 2,3-DIFLUOROBENZENE DERIVATIVES AND THEIR USE AS COMPONENTS OF LIQUID CRYSTAL MEDIA MERCK PATENT GMBH (DE) 1993-11-24 EP disclosed
US-5236620-A 2,3-DIFLUOROBENZENE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-08-17 US disclosed
EP-0513262-A1 3,6-DISUBSTITUTED 2-HALOPYRIDINES MERCK PATENT GmbH (DE) 1992-11-19 EP disclosed
WO-1992009576-A1 3,6-DISUBSTITUTED 2-HALOPYRIDINES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1992-06-11 WO disclosed
EP-0449015-A2 Difluoromethyl compounds and liquid criystal medium MERCK PATENT GmbH (DE) 1991-10-02 EP disclosed
WO-1991001016-A1 PROCESS FOR FILLING A LIQUID CRYSTAL DISPLAY WITH A HOMOEOTROPIC EDGE ORIENTATION MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-01-24 WO disclosed
US-4935160-A Liquid-crystal guest-host systems MERCK PATENT GESSELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-06-19 US disclosed
EP-0357727-A1 2,3-DIFLUOROBENZENE DERIVATIVES AND THEIR USE AS COMPONENTS OF LIQUID CRYSTAL MEDIA. MERCK PATENT GMBH (DE) 1990-03-14 EP disclosed
WO-1989008689-A1 2,3-DIFLUOROBENZENE DERIVATIVES AND THEIR USE AS COMPONENTS OF LIQUID CRYSTAL MEDIA MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed
EP-0329752-A1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK PATENT GmbH (DE) 1989-08-30 EP disclosed
WO-1989002425-A1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-03-23 WO disclosed