SCHEMBL2844689

SCHEMBL2844689

COC(=O)Cc1ccc(CN(Cc2ccccc2)[C@H]2CC[C@H](C(C)(C)C)CC2)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 9/20 0.41
CTSD P07339 1/20 0.39
GIPR P48546 4/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
GFER P55789 1/20 0.38
BCHE P06276 3/20 0.38
ACHE P22303 3/20 0.38
GLP1R P43220 2/20 0.37
PDK2 Q15119 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP19A1 P11511 1/20 0.36
YTHDC1 Q96MU7 1/20 0.36
MAPT P10636 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
SCHEMBL2844687 1.00 GCGR (0.41) GCGRCTSDGIPRALDH1A1GAA
SCHEMBL2850248 0.84 CTSD (0.38) GCGRCTSDGIPRALDH1A1GAA
SCHEMBL2847594 0.70 SLC6A2 (0.38) GCGRGIPRGLP1RPDK2
SCHEMBL24992155 0.70 YTHDC1 (0.44) ALDH1A1MEN1KMT2AYTHDC1
SCHEMBL8146212 0.69 GAA (0.63) ALDH1A1GAAGFERPDK2KDM4E
SCHEMBL18341465 0.68 YTHDC1 (0.44) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL21389913 0.68 YTHDC1 (0.44) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL2652321 0.68 GCGR (0.49) GCGRGIPRALDH1A1GLP1RKDM4E
SCHEMBL17139869 0.68 YTHDC1 (0.46) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL384806 0.68 YTHDC1 (0.46) ALDH1A1KDM4EMEN1KMT2ANPSR1

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
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed