SCHEMBL7747035

SCHEMBL7747035

CCCCC1CCC(C2CCC(c3ccc(N)cc3)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.49
MAPK1 P28482 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SPHK1 Q9NYA1 4/20 0.43
ESR2 Q92731 3/20 0.41
CYP1A2 P05177 2/20 0.39
HTT P42858 1/20 0.37
CYP19A1 P11511 1/20 0.37
ESR1 P03372 1/20 0.37
CYP3A4 P08684 1/20 0.37
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL7747030 1.00 CYP2C9 (0.49) CYP2C9MAPK1LMNAMAPTMEN1
SCHEMBL7747038 1.00 CYP2C9 (0.49) CYP2C9MAPK1LMNAMAPTMEN1
SCHEMBL7747049 0.95 CYP2C9 (0.48) CYP2C9MAPK1LMNAMAPTMEN1
SCHEMBL7747040 0.95 CYP2C9 (0.48) CYP2C9MAPK1LMNAMAPTMEN1
SCHEMBL10348104 0.95 CYP2C9 (0.48) CYP2C9MAPK1LMNAMAPTMEN1
SCHEMBL7747046 0.95 CYP2C9 (0.48) CYP2C9MAPK1LMNAMAPTMEN1
SCHEMBL7752374 0.95 CYP2C9 (0.53) CYP2C9MAPK1LMNAMAPTMEN1
SCHEMBL7753757 0.94 SPHK1 (0.48) CYP2C9MAPK1LMNAMAPTMEN1
SCHEMBL7747020 0.94 SPHK1 (0.48) CYP2C9MAPK1LMNAMAPTMEN1
SCHEMBL7752402 0.94 SPHK1 (0.48) CYP2C9MAPK1LMNAMAPTMEN1

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-1999034252-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