SCHEMBL7753744

SCHEMBL7753744

CCCC1CCC(c2ccc(Cc3ccc(N)cc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.56
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
MEN1 O00255 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP3A4 P08684 3/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SPHK1 Q9NYA1 5/20 0.43
ESR2 Q92731 8/20 0.41
ESR1 P03372 6/20 0.37
CYP2D6 P10635 1/20 0.36
SPHK2 Q9NRA0 1/20 0.35

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
SCHEMBL7753793 0.92 CYP2C9 (0.64) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10778385 0.92 CYP2C9 (0.64) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7752381 0.91 SPHK1 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10348261 0.91 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10348262 0.91 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTMEN1
Hydrochloric Acid SCHEMBL11055079 0.90 CYP2C9 (0.62) CYP2C9ALDH1A1LMNAMAPTMEN1
Hydrochloric Acid SCHEMBL10975341 0.90 CYP2C9 (0.62) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8164282 0.90 SPHK1 (0.50) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7752525 0.88 SPHK1 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7752570 0.88 SPHK1 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1

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 9 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
US-5907005-A SUITABLE FOR PRODUCING A LIQUID CRYSTAL ALIGNING FILM WITH SPECIFIC THICKNESS CONSISTS OF POLYAMIC ACID OR POLYIMIDE, AND A SOLVENT CONSISTS OF N-METHYL-PYRROLIDONE AND DIMETHYL IMIDAZOLIDINONE, AN ALKYL LACTATE AND AN ETHER CHISSO CORPORATION (JP) 1999-05-25 US disclosed
US-5798810-A RUBBING, IRRADIATING AND SEALING CHISSO CORPORATION (JP) 1998-08-25 US disclosed
US-5501884-A Diamino compounds and their production method and liquid crystal alignment layers using the compounds CHISSO CORPORATION (JP) 1996-03-26 US disclosed