SCHEMBL5963563

SCHEMBL5963563

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ACE P12821 5/20 0.45
▸ XPNPEP2 O43895 1/20 0.45
▸ UCHL1 P09936 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ NPC1 O15118 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
SCHEMBL5963526 0.85 SMN1; SMN2 (0.51) HSD17B10SMN1; SMN2ACEXPNPEP2UCHL1
SCHEMBL2489313 0.84 HSD17B10 (0.71) HSD17B10SMN1; SMN2ACEUCHL1LMNA
SCHEMBL8395469 0.84 HSD17B10 (0.71) HSD17B10SMN1; SMN2ACEUCHL1LMNA
SCHEMBL9609459 0.84 HSD17B10 (0.71) HSD17B10SMN1; SMN2ACEUCHL1LMNA
SCHEMBL38017 0.84 HSD17B10 (0.42) HSD17B10SMN1; SMN2UCHL1CYP2C19
SCHEMBL192921 0.84 HSD17B10 (0.42) HSD17B10SMN1; SMN2UCHL1CYP2C19
SCHEMBL20811620 0.84 HSD17B10 (0.42) HSD17B10SMN1; SMN2UCHL1CYP2C19
SCHEMBL2489604 0.84 HSD17B10 (0.42) HSD17B10SMN1; SMN2UCHL1CYP2C19
SCHEMBL641763 0.84 HSD17B10 (0.42) HSD17B10SMN1; SMN2UCHL1CYP2C19
SCHEMBL29038999 0.84 HSD17B10 (0.42) HSD17B10SMN1; SMN2UCHL1CYP2C19

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-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
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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