SCHEMBL8096707

SCHEMBL8096707

CC(C)C(N)(CC(c1ccccc1)c1cc(COC(=O)C(O)c2ccccc2)ccc1O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.37
MAPT P10636 4/20 0.37
NPSR1 Q6W5P4 4/20 0.37
HTT P42858 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
HPGD P15428 3/20 0.36
CHRM2 P08172 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM5 P08912 2/20 0.36
CHRM3 P20309 2/20 0.36
HRH1 P35367 2/20 0.36
ADRB2 P07550 1/20 0.36
CX3CR1 P49238 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
Mandelic Acid SCHEMBL8096709 0.84 LMNA (0.39) LMNAMAPTNPSR1HTTCYP1A2
SCHEMBL6760701 0.81 LMNA (0.35) LMNAMAPTNPSR1HTTCYP1A2
SCHEMBL1354181 0.81 LMNA (0.40) LMNAMAPTNPSR1HTTCYP1A2
SCHEMBL5178337 0.79 CHRM3 (0.61) LMNAMAPTCHRM2CHRM1CHRM5
Hydrochloric Acid SCHEMBL8104115 0.78 DPP4 (0.40) LMNAMAPTNPSR1HTTCYP1A2
SCHEMBL6757054 0.76 CHRM2 (0.52) LMNACYP3A4CHRM2CHRM1ADRB2
SCHEMBL6761854 0.76 CHRM2 (0.42) LMNAMAPTCYP3A4HPGDCHRM2
Hydrochloric Acid SCHEMBL8096376 0.76 IGF1R (0.37) LMNAMAPTNPSR1HTTHPGD
Cadaverine Tartrate SCHEMBL5269127 0.76 CHRM2 (0.62) LMNAMAPTNPSR1HTTCYP1A2
SCHEMBL8109866 0.76 ERCC1 (0.39) LMNAMAPTNPSR1HTTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019358-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia & Upjohn AB (SE) 2000-07-19 EP disclosed
WO-1998043942-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-10-08 WO disclosed