SCHEMBL21756473

SCHEMBL21756473

O=C(O)CCc1cc2n(n1)CCN(C(=O)Cc1ccccc1)C2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ GRM5 P41594 11/20 0.44
▸ HSD11B1 P28845 1/20 0.43
▸ USP2 O75604 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ATM Q13315 1/20 0.41

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
SCHEMBL21753823 0.93 MAPT (0.46) ALDH1A1KDM4EGRM5TSHR
SCHEMBL21753810 0.90 ATM (0.47) ALDH1A1KDM4EGRM5TSHRKMT2A
SCHEMBL21752922 0.90 ATM (0.46) GRM5HSD11B1KMT2AATM
SCHEMBL21753809 0.90 SMN1; SMN2 (0.45) ALDH1A1KDM4EGRM5GAAKMT2A
SCHEMBL21753812 0.90 ALDH1A1 (0.46) ALDH1A1KDM4EGRM5GAANPC1
SCHEMBL21753815 0.90 GRM5 (0.49) GRM5KMT2A
SCHEMBL21753824 0.89 GRM5 (0.50) GRM5
SCHEMBL21753806 0.88 GRM5 (0.44) GRM5USP2GAA
SCHEMBL21753808 0.87 GRM5 (0.47) GRM5
SCHEMBL21753822 0.87 SMN1; SMN2 (0.54) ALDH1A1GAAKMT2A

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-2020040326-A1 PHENYLACETIC ACID DERIVATIVE, AND COMPOSITION FOR PREVENTING OR TREATING AUTOIMMUNE DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT 가천대학교 산학협력단 2020-02-27 — — WO disclosed
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