SCHEMBL8477680

SCHEMBL8477680

COc1c[c]ccc1CC(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
SLC6A2 P23975 4/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 2/20 0.36
CYP2D6 P10635 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HIF1A Q16665 1/20 0.35
RIPK1 Q13546 1/20 0.33
GAA P10253 1/20 0.33
NR3C2 P08235 1/20 0.32
CYP19A1 P11511 1/20 0.32
KIF11 P52732 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32

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
SCHEMBL8478244 0.84 RIPK1 (0.34) SMN1; SMN2HTTSLC6A2RIPK1NR3C2
SCHEMBL8481475 0.80 SMN1; SMN2 (0.43) SMN1; SMN2HTTMEN1KMT2ASLC6A2
SCHEMBL8477307 0.80 MEN1 (0.38) SMN1; SMN2HTTMEN1KMT2ACYP1A2
SCHEMBL8477930 0.73 CYP19A1 (0.40) HTTMEN1KMT2ASLC6A2LMNA
SCHEMBL8859966 0.73 HTR1A (0.43) SMN1; SMN2CYP1A2CYP3A4CYP2C9LMNA
SCHEMBL8475300 0.72 LMNA (0.37) SMN1; SMN2HTTLMNANPSR1KIF11
SCHEMBL2480627 0.72 PDE4A (0.44) CYP1A2LMNA
SCHEMBL27588489 0.71 IDO1 (0.46) GAACHRM2CHRM1
SCHEMBL8477543 0.71 MEN1 (0.42) MEN1KMT2ASLC6A2CYP1A2CYP3A4
SCHEMBL9458722 0.71 LMNA (0.40) MEN1KMT2ASLC6A2LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6004988-A Carboxylic acid derivatives, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed