SCHEMBL5963539

SCHEMBL5963539

CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ PEPD P12955 1/20 0.33
▸ XPNPEP1 Q9NQW7 1/20 0.33
▸ NR1H2 P55055 1/20 0.32
▸ F13A1 P00488 1/20 0.32
▸ TGM2 P21980 1/20 0.32
▸ TGM1 P22735 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ UCHL1 P09936 1/20 0.32
▸ HTRA1 Q92743 1/20 0.31
▸ AR P10275 2/20 0.31
▸ P2RX3 P56373 1/20 0.31
▸ DPP4 P27487 2/20 0.31

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
SCHEMBL26464539 0.86 CYP1A2 (0.47) HSD11B1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL26464450 0.86 CYP1A2 (0.47) HSD11B1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL26464715 0.86 CYP1A2 (0.47) HSD11B1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL26464816 0.86 CYP1A2 (0.47) HSD11B1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL26464083 0.86 CYP1A2 (0.47) HSD11B1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL21637229 0.82 HSD11B1 (0.38) HSD11B1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL21765940 0.82 HSD11B1 (0.38) HSD11B1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL29144827 0.82 NR1H2 (0.39) HSD11B1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL29144815 0.82 NR1H2 (0.39) HSD11B1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL29947782 0.82 NR1H2 (0.39) HSD11B1CYP1A2POLBCYP3A4CYP2C19

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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