SCHEMBL7753797

SCHEMBL7753797

CCCCCC1CCC(c2ccc(C(C)c3ccc(N)cc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
SPHK1 Q9NYA1 9/20 0.42
ESR2 Q92731 1/20 0.37
GAA P10253 1/20 0.36
CYP19A1 P11511 1/20 0.35
SPHK2 Q9NRA0 5/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL8771687 0.99 SPHK1 (0.44) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL7752442 0.99 SPHK1 (0.44) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL8771518 0.96 CYP2C9 (0.45) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL8771462 0.90 CYP2C9 (0.54) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL7752413 0.90 CYP2C9 (0.51) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL11117357 0.90 CYP2C9 (0.51) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL7747021 0.89 SPHK1 (0.51) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL7751373 0.89 SPHK1 (0.51) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL7752407 0.89 SPHK1 (0.51) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL7747175 0.89 SPHK1 (0.51) CYP2C9MAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064319-A1 POLYAMIC ACID COMPOSITION, LIQUID CRYSTAL ALIGNING FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2001-01-03 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
EP-0220463-B1 POLYMER MATERIALS PRESENTING A LIQUID CRYSTAL PHASE MERCK PATENT GmbH (DE) 1992-01-02 EP disclosed