SCHEMBL8477307

SCHEMBL8477307

Cc1c[c]ccc1CC(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
HIF1A Q16665 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
SIGMAR1 Q99720 1/20 0.36
CHRM2 P08172 4/20 0.34
CHRM1 P11229 4/20 0.34
CHRM3 P20309 4/20 0.34
CHRM4 P08173 3/20 0.34
CHRM5 P08912 3/20 0.34
KCNA5 P22460 1/20 0.34
CYP2D6 P10635 1/20 0.32
KIF11 P52732 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 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
SCHEMBL8474416 0.82 TAAR1 (0.32) MEN1KMT2ACYP2C9CYP2C19CYP1A2
SCHEMBL8475300 0.82 LMNA (0.37) SMN1; SMN2KIF11ALDH1A1LMNAMAPK1
SCHEMBL8477680 0.80 SMN1; SMN2 (0.40) MEN1KMT2ACYP2C9CYP2C19CYP1A2
SCHEMBL28114102 0.79 MEN1 (0.44) MEN1KMT2ACYP2C9CYP2C19CYP1A2
SCHEMBL8474278 0.78 MEN1 (0.41) MEN1KMT2ACYP2C9CYP2C19CYP1A2
SCHEMBL8477930 0.77 CYP19A1 (0.40) MEN1KMT2ALMNAHTTNPSR1
SCHEMBL8477408 0.72 CYP2C9 (0.51) MEN1KMT2ACYP2C9CYP2C19CYP1A2
SCHEMBL8476961 0.71 SLC6A2 (0.35) SMN1; SMN2KCNA5NPSR1HTR2AKCNH2
SCHEMBL7453249 0.70 CALM1 (0.41) MEN1KMT2ACYP2C9CYP2C19CYP1A2
SCHEMBL2019079 0.70 MEN1 (0.40) MEN1KMT2ACYP2C9CYP2C19CYP1A2

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