SCHEMBL7747115

SCHEMBL7747115

CC1CCC([C@H]2CC[C@H](c3ccc(N)cc3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.57
SLC18A3 Q16572 1/20 0.40
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
SPHK1 Q9NYA1 1/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP19A1 P11511 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL7747122 1.00 ESR2 (0.57) ESR2SLC18A3ALDH1A1HTTSPHK1
SCHEMBL7747118 1.00 ESR2 (0.57) ESR2SLC18A3ALDH1A1HTTSPHK1
SCHEMBL7752607 0.94 ESR2 (0.63) ESR2SLC18A3ALDH1A1HTTSPHK1
SCHEMBL20091241 0.88 ESR2 (0.57) ESR2SLC18A3ALDH1A1HTTSPHK1
SCHEMBL7751598 0.83 ESR2 (0.52) ESR2SLC18A3ALDH1A1SPHK1CYP19A1
SCHEMBL7751601 0.83 ESR2 (0.52) ESR2SLC18A3ALDH1A1SPHK1CYP2C9
SCHEMBL8468200 0.83 ESR2 (0.52) ESR2ALDH1A1POLBCYP3A4MEN1
SCHEMBL7032389 0.83 ESR2 (0.52) ESR2SLC18A3ALDH1A1HTTSPHK1
SCHEMBL900534 0.82 SLC18A3 (0.50) ESR2SLC18A3ALDH1A1SPHK1POLB
SCHEMBL5284 0.82 SLC18A3 (0.50) ESR2SLC18A3ALDH1A1SPHK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064329-A1 POLYAMIC ACID COMPOSITION, LIQUID CRYSTAL ALIGNING FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2001-01-03 EP disclosed
EP-1064319-A1 POLYAMIC ACID COMPOSITION, LIQUID CRYSTAL ALIGNING FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2001-01-03 EP disclosed
EP-1042701-A1 POLYAMIC ACID COMPOSITION, LIQUID CRYSTAL ALIGNING FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2000-10-11 EP disclosed
WO-1999033902-A1 POLYAMIC ACID COMPOSITION, LIQUID CRYSTAL ALIGNING FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1999-07-08 WO disclosed
WO-1999033923-A1 POLYAMIC ACID COMPOSITION, LIQUID CRYSTAL ALIGNING FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1999-07-08 WO disclosed
WO-1999034252-A1 POLYAMIC ACID COMPOSITION, LIQUID CRYSTAL ALIGNING FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1999-07-08 WO disclosed