SCHEMBL7753734

SCHEMBL7753734

CCCC1CCC(C2CCC(c3ccc(N)cc3)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.59
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
MEN1 O00255 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
ESR2 Q92731 8/20 0.44
SPHK1 Q9NYA1 1/20 0.39
ESR1 P03372 6/20 0.39
CYP3A4 P08684 2/20 0.39
TLR4 O00206 1/20 0.36
SLC18A3 Q16572 1/20 0.36
CYP2D6 P10635 1/20 0.35
NFE2L2 Q16236 1/20 0.35
DRD2 P14416 1/20 0.35
CHEK2 O96017 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
SCHEMBL7753739 1.00 CYP2C9 (0.59) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7753732 1.00 CYP2C9 (0.59) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10778385 0.95 CYP2C9 (0.64) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7753793 0.95 CYP2C9 (0.64) CYP2C9ALDH1A1LMNAMAPTMEN1
Hydrochloric Acid SCHEMBL10975341 0.93 CYP2C9 (0.62) CYP2C9ALDH1A1LMNAMAPTMEN1
Hydrochloric Acid SCHEMBL11055079 0.93 CYP2C9 (0.62) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10893199 0.91 CYP2C9 (0.63) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10893213 0.91 CYP2C9 (0.63) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9159105 0.91 CYP2C9 (0.63) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9159091 0.91 CYP2C9 (0.63) 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 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