SCHEMBL8767206

SCHEMBL8767206

CCCc1ccccc1C1(c2ccccc2CCC)CCC(CCC)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
HDAC4 P56524 1/20 0.34
BCHE P06276 1/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD11B1 P28845 1/20 0.31
CYP2C9 P11712 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL8766372 0.91 HRH3 (0.38) HRH3BCHEGAAMAPTMAPK1
SCHEMBL8766761 0.90 KDM4E (0.37) HDAC4GAAMAPTSMN1; SMN2OPRM1
SCHEMBL8766367 0.90 BCHE (0.35) HRH3BCHECYP2C9OPRM1OPRK1
SCHEMBL8766466 0.89 HDAC4 (0.44) HRH3HDAC4MAPTHSD11B1CYP2C9
SCHEMBL8766504 0.88 LIPG (0.36) HRH3BCHECYP2C9
SCHEMBL8766507 0.88 LIPG (0.36) HRH3BCHECYP2C9
SCHEMBL8766414 0.88 LIPG (0.36) HRH3BCHECYP2C9
SCHEMBL8766538 0.84 ACHE (0.35) HDAC4CYP2C9ALDH1A1
SCHEMBL8766449 0.81 OPRM1 (0.40) HRH3HDAC4GAAMAPTHSD11B1
SCHEMBL8766329 0.80 HDAC4 (0.39) HRH3HDAC4BCHEGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0601813-B1 Diamino compounds and their production method and liquid crystal alignment layers using the compounds CHISSO CORP (JP) 1997-08-13 EP 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
US-5382688-A Diamino compounds and their production method CHISSO CORPORATION (JP) 1995-01-17 US disclosed
EP-0601813-A1 Diamino compounds and their production method and liquid crystal alignment layers using the compounds CHISSO CORPORATION (JP) 1994-06-15 EP disclosed