SCHEMBL9514163

SCHEMBL9514163

CC(C)(C)OC(=O)N[C@@H](CSCCCC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 7/20 0.51
▸ PPARA Q07869 7/20 0.51
▸ PPARD Q03181 2/20 0.49
▸ MDM2 Q00987 1/20 0.49
▸ SLC17A5 Q9NRA2 1/20 0.47
▸ IDO1 P14902 1/20 0.46
▸ MDM4 O15151 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TNF P01375 3/20 0.43
▸ TLR2 O60603 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 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
SCHEMBL5056933 0.93 SLC17A5 (0.51) PPARGPPARAPPARDMDM2SLC17A5
SCHEMBL30393072 0.93 SLC17A5 (0.51) PPARGPPARAPPARDMDM2SLC17A5
SCHEMBL5056936 0.93 SLC17A5 (0.51) PPARGPPARAPPARDMDM2SLC17A5
SCHEMBL10131781 0.87 MDM2 (0.53) PPARGPPARAPPARDMDM2IDO1
SCHEMBL29400768 0.87 MDM2 (0.53) PPARGPPARAPPARDMDM2IDO1
SCHEMBL14381107 0.87 MDM2 (0.53) PPARGPPARAPPARDMDM2IDO1
SCHEMBL29456972 0.87 SLC17A5 (0.51) MDM2SLC17A5MDM4TP53TNF
SCHEMBL17079665 0.87 SLC17A5 (0.53) PPARGPPARAPPARDMDM2SLC17A5
SCHEMBL5416534 0.86 SLC17A5 (0.51) PPARGPPARAPPARDMDM2SLC17A5
SCHEMBL9511556 0.86 MDM2 (0.49) PPARGPPARAPPARDMDM2SLC17A5

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
EP-0320967-B1 ANF derivatives with novel bridging BIO MEGA BOEHRINGER INGELHEIM (CA) 1993-12-08 — — EP disclosed
US-4891358-A ATRIAL NATRIURETIC FACTOR BIO-MEGA INC. (CA) 1990-01-02 — — US disclosed
EP-0320967-A2 ANF derivatives with novel bridging BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1989-06-21 — — EP disclosed
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