SCHEMBL8698263

SCHEMBL8698263

CCOCCOCC(O)N1CCNCC1Cc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHIT1 Q13231 2/20 0.35
CHIA Q9BZP6 2/20 0.35
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
APOBEC3G Q9HC16 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.31
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL8698596 0.95 CHIT1 (0.37) SMN1; SMN2MAPK1CHIT1CHIASLC6A2
SCHEMBL3738375 0.77 PPARG (0.40) CHIT1CHIASLC6A2SLC6A4SLC6A3
SCHEMBL5695787 0.76 CHIT1 (0.41) CHIT1CHIASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL8697805 0.76 PPARG (0.39) CHIT1CHIASLC6A2SLC6A4SLC6A3
SCHEMBL8697920 0.76 CHIT1 (0.37) CHIT1CHIASLC6A2SLC6A4SLC6A3
SCHEMBL3738384 0.73 SLC6A2 (0.38) CHIT1CHIASLC6A2SLC6A4SLC6A3
SCHEMBL8697912 0.73 CHIT1 (0.38) LMNACHIT1CHIASLC6A2SLC6A4
SCHEMBL9812322 0.72 TDP1 (0.41) CHIT1CHIASLC6A2SLC6A4SLC6A3
SCHEMBL6711048 0.71 CHIT1 (0.36) CHIT1CHIAHTR2CHTR2B
SCHEMBL8698603 0.71 CHIT1 (0.37) CHIT1CHIASLC6A2SLC6A4SLC6A3

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
US-5792770-A ADMINISTERING AS SEDATIVE, TRANQUILIZER, ANXIOLYTIC AGENT U C B S.A. (BE) 1998-08-11 US claimed
US-5792770-A ADMINISTERING AS SEDATIVE, TRANQUILIZER, ANXIOLYTIC AGENT U C B S.A. (BE) 1998-08-11 US disclosed
US-5703082-A ANTIHISTAMINE; TRANQUILIZERS U C B S.A. (BE) 1997-12-30 US disclosed