SCHEMBL6971214

SCHEMBL6971214

Cc1cc(C(Oc2ccccc2C(F)(F)F)C(=O)O)ccc1NC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.43
▸ KEAP1 Q14145 2/20 0.41
▸ NFE2L2 Q16236 2/20 0.41
▸ AKR1C3 P42330 2/20 0.39
▸ AKR1C2 P52895 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PPARA Q07869 2/20 0.37
▸ SLC1A3 P43003 2/20 0.37
▸ SLC1A2 P43004 2/20 0.37
▸ SLC1A1 P43005 2/20 0.37
▸ P2RY1 P47900 1/20 0.37
▸ F9 P00740 2/20 0.36
▸ F10 P00742 2/20 0.36
▸ PLAU P00749 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6978109 0.89 PPARG (0.41) PPARGKEAP1NFE2L2AKR1C3AKR1C2
SCHEMBL6982722 0.86 KEAP1 (0.45) PPARGKEAP1NFE2L2AKR1C3AKR1C2
SCHEMBL6973224 0.81 PPARA (0.43) PPARGKEAP1NFE2L2KMT2APPARA
SCHEMBL6979803 0.76 PPARG (0.45) PPARGKEAP1NFE2L2KMT2APPARA
SCHEMBL4575558 0.75 PPARG (0.53) PPARGKEAP1NFE2L2AKR1C3AKR1C2
SCHEMBL4575992 0.74 PPARG (0.53) PPARGPPARA
SCHEMBL6983841 0.71 LMNA (0.38) KMT2APPARASLC1A3SLC1A2SLC1A1
SCHEMBL7372312 0.71 KMT2A (0.47) MEN1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL6975862 0.70 RAF1 (0.42) PPARGKEAP1NFE2L2MEN1KMT2A
SCHEMBL2172054 0.70 AKR1C3 (0.48) AKR1C3AKR1C2MEN1KMT2ASLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030835-B1 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LTD (GB) 2003-01-22 — — EP disclosed
US-6344570-B1 ANTISTICKING AGENTS FOR CELLS ASTRAZENECA UK LIMITED (GB) 2002-02-05 — — US disclosed
EP-1030835-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS AstraZeneca UK Limited (GB) 2000-08-30 — — EP disclosed
WO-1999024398-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-05-20 — — WO disclosed
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