SCHEMBL21753822

SCHEMBL21753822

COc1ccc(CC(=O)N2CCn3nc(CCC(=O)O)cc3C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ MAPT P10636 2/20 0.50
▸ SIGMAR1 Q99720 1/20 0.47
▸ ABCB1 P08183 1/20 0.46
▸ ABCC1 P33527 1/20 0.46
▸ GFER P55789 2/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ HPGD P15428 4/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GPR183 P32249 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL21753814 0.97 SMN1; SMN2 (0.51) SMN1; SMN2MAPTSIGMAR1ABCB1ABCC1
SCHEMBL21753816 0.89 SIGMAR1 (0.53) MAPTSIGMAR1ALDH1A1L3MBTL1KMT2A
SCHEMBL21753817 0.89 SLC13A5 (0.43) SMN1; SMN2MAPTSIGMAR1ABCB1ABCC1
SCHEMBL21753809 0.89 SMN1; SMN2 (0.45) SMN1; SMN2GFERALDH1A1HPGDNPSR1
SCHEMBL21756473 0.87 ALDH1A1 (0.46) ALDH1A1KMT2AGAA
SCHEMBL21752922 0.86 ATM (0.46) GFERKMT2AMEN1GPR183
SCHEMBL21753815 0.86 GRM5 (0.49) MAPTKMT2AMEN1
SCHEMBL21753812 0.86 ALDH1A1 (0.46) SMN1; SMN2MAPTALDH1A1HPGDKMT2A
SCHEMBL21753827 0.86 SMN1; SMN2 (0.42) SMN1; SMN2ABCB1ABCC1GFERALDH1A1
SCHEMBL16099458 0.86 PANK3 (0.44) SMN1; SMN2ALDH1A1

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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