SCHEMBL19559716

SCHEMBL19559716

CCC1=CC=C(CCOc2ccc(CC3SC(=O)N(N)C3=O)cc2)NC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 13/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ RXRA P19793 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL19559734 0.77 PPARG (0.36) PPARGCYP3A4RXRAHRH3KMT2A
SCHEMBL19559762 0.76 PPARG (0.45) PPARGCYP3A4RXRAALOX15POLB
SCHEMBL18323953 0.75 PPARG (0.66) PPARGCYP3A4RXRAHRH3KMT2A
SCHEMBL19559710 0.75 NPC1 (0.47) PPARGKMT2AMEN1KDM4CMAPT
SCHEMBL19559801 0.75 PPARG (0.46) PPARGCYP3A4RXRAHRH3ALOX15
SCHEMBL19559802 0.71 PPARG (0.41) PPARGCYP3A4RXRAALDH1A1L3MBTL1
SCHEMBL19559666 0.71 PPARG (0.46) PPARGALDH1A1TP53MAPTMPC2
SCHEMBL19559652 0.71 PPARG (0.40) PPARGCYP3A4RXRAHRH3MAPT
SCHEMBL19559724 0.70 GLA (0.42) PPARGSMN1; SMN2
SCHEMBL19559757 0.70 PPARG (0.40) PPARGCYP3A4RXRAHRH3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513070-B1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES CIRIUS THERAPEUTICS INC (US) 2017-11-08 — — EP disclosed
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