SCHEMBL14080893

SCHEMBL14080893

C[C@H]1C(=O)N(Cc2ccccc2)C[C@H]2C(=O)N(CCc3ccccc3)C(=O)N12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CACNA1G O43497 1/20 0.45
▸ CACNA1H O95180 1/20 0.45
▸ CACNA1I Q9P0X4 1/20 0.45
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ USP2 O75604 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ OPRM1 P35372 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ ALOX12 P18054 1/20 0.40
▸ CASP1 P29466 1/20 0.40

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
SCHEMBL14080978 1.00 GAA (0.45) GAAHTTSMN1; SMN2MAPK1CACNA1G
SCHEMBL13673303 0.77 KMT2A (0.52) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL18425663 0.72 CACNA1G (0.50) CACNA1GCACNA1HCACNA1I
SCHEMBL10159083 0.71 KMT2A (0.59) GAAHTTSMN1; SMN2MAPK1MEN1
SCHEMBL12205992 0.67 ALDH1A1 (0.58) GAAHTTSMN1; SMN2MAPK1MEN1
SCHEMBL13484174 0.67 HPGD (0.47) CACNA1GCACNA1HCACNA1IMEN1KMT2A
SCHEMBL9766998 0.66 HPGD (0.46) CACNA1GCACNA1HCACNA1IMEN1KMT2A
SCHEMBL21262206 0.65 TSHR (0.47) SMN1; SMN2CACNA1GCACNA1HCACNA1IKMT2A
SCHEMBL9771398 0.65 ADORA2A (0.48) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL9771335 0.65 ADORA2A (0.48) SMN1; SMN2MEN1KMT2AL3MBTL1POLB

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
US-7407952-B2 Reverse-turn mimetics and compositions and methods related thereto MYRIAD GENETICS, INC. (US) 2008-08-05 — — US disclosed
US-7407952-B2 Reverse-turn mimetics and compositions and methods related thereto MYRIAD GENETICS, INC. (US) 2008-08-05 — — US disclosed
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