SCHEMBL21753816

SCHEMBL21753816

COc1cccc(CC(=O)N2CCn3nc(CCC(=O)O)cc3C2)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.53
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ GRM5 P41594 12/20 0.45
▸ MAPT P10636 1/20 0.45
▸ BRS3 P32247 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL21753817 0.90 SLC13A5 (0.43) SIGMAR1MEN1KMT2AGRM5MAPT
SCHEMBL21753822 0.89 SMN1; SMN2 (0.54) SIGMAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL21756473 0.87 ALDH1A1 (0.46) KMT2AGRM5ALDH1A1
SCHEMBL21753814 0.86 SMN1; SMN2 (0.51) SIGMAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL21753810 0.86 ATM (0.47) MEN1KMT2AGRM5ALDH1A1
SCHEMBL21753824 0.85 GRM5 (0.50) GRM5
SCHEMBL21753806 0.82 GRM5 (0.44) GRM5MAPT
SCHEMBL21753809 0.82 SMN1; SMN2 (0.45) MEN1KMT2AGRM5ALDH1A1
SCHEMBL16100329 0.82 KMT2A (0.52) SIGMAR1MEN1KMT2AGRM5MAPT
SCHEMBL21753823 0.81 MAPT (0.46) GRM5MAPTALDH1A1

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
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 claimed
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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