SCHEMBL8368583

SCHEMBL8368583

CCCC[C@H]1CC[C@H](c2ccc(OC)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.55
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
ESR2 Q92731 2/20 0.42
SPHK1 Q9NYA1 2/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
KDM1A O60341 1/20 0.39

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
SCHEMBL8368584 1.00 DRD2 (0.55) DRD2CYP2C9ALDH1A1MAPTMEN1
SCHEMBL10765110 0.95 DRD2 (0.51) DRD2CYP2C9ALDH1A1MAPTMEN1
SCHEMBL11281659 0.95 DRD2 (0.51) DRD2CYP2C9ALDH1A1MAPTMEN1
SCHEMBL10765104 0.95 DRD2 (0.51) DRD2CYP2C9ALDH1A1MAPTMEN1
SCHEMBL7910589 0.95 DRD2 (0.54) DRD2CYP2C9ALDH1A1MAPTMEN1
SCHEMBL7910586 0.95 DRD2 (0.54) DRD2CYP2C9ALDH1A1MAPTMEN1
SCHEMBL21321988 0.94 DRD2 (0.52) DRD2CYP2C9ALDH1A1MAPTMEN1
SCHEMBL19722191 0.94 DRD2 (0.52) DRD2CYP2C9ALDH1A1MAPTMEN1
SCHEMBL19722184 0.94 DRD2 (0.52) DRD2CYP2C9ALDH1A1MAPTMEN1
SCHEMBL9509006 0.92 DRD2 (0.48) DRD2CYP2C9ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0438547-B2 SUPER-TWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1999-07-07 EP disclosed
EP-0494368-B1 Supertwist liquid crystal display MERCK PATENT GMBH (DE) 1999-01-20 EP disclosed
EP-0481293-B1 Supertwist liquid crystal display MERCK PATENT GMBH (DE) 1996-06-05 EP disclosed
EP-0494368-A2 Supertwist liquid crystal display MERCK PATENT GmbH (DE) 1992-07-15 EP disclosed
EP-0481293-A2 Supertwist liquid crystal display MERCK PATENT GmbH (DE) 1992-04-22 EP disclosed