SCHEMBL5963526

SCHEMBL5963526

CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ POLB P06746 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.43
▸ XPNPEP2 O43895 1/20 0.42
▸ ACE P12821 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ SCN5A Q14524 1/20 0.41
▸ SCN3A Q9NY46 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ ITGB3 P05106 1/20 0.39

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
SCHEMBL11130621 0.87 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KMT2APOLBHSD17B10
SCHEMBL11130618 0.87 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KMT2APOLBHSD17B10
SCHEMBL20611377 0.85 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1KMT2APOLBHSD17B10
SCHEMBL5964142 0.85 CMA1 (0.48) SMN1; SMN2ALDH1A1KMT2ALMNANPSR1
SCHEMBL5964139 0.85 CMA1 (0.48) SMN1; SMN2ALDH1A1KMT2ALMNANPSR1
SCHEMBL5963563 0.85 HSD17B10 (0.53) SMN1; SMN2HSD17B10XPNPEP2ACENPC1
SCHEMBL3591879 0.84 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1KMT2APOLBHSD17B10
SCHEMBL4473488 0.84 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1KMT2APOLBHSD17B10
SCHEMBL11032344 0.84 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1KMT2APOLBHSD17B10
Tetradecane SCHEMBL27504192 0.78 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1KMT2APOLBHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122521-B2 COMPRISING TRIPEPTIDE UNIT OF THE FORMULA (flp-Yaa-Gly)N, WHERE Yaa IS ANY AMINO ACID, FLP IS 4(R)-FLUORO-L-PROLINE, AND N IS AT LEAST 3; INCREASED STABILITY; STRONGER TRIPLE HELIX THAN NATIVE COLLAGEN; FOR USE SUCH AS IN ARTIFICIAL SKIN WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2006-10-17 — — US disclosed
WO-2005000872-A2 COLLAGEN MIMICS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-01-06 — — WO disclosed
US-20050004032-A1 Collagen mimics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-01-06 — — US disclosed
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