SCHEMBL5335446

SCHEMBL5335446

C[As](C)c1ccc(NC(=O)Nc2ccc(OC(C)(C)C(=O)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 12/20 0.50
▸ EPHX2 P34913 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ PPARG P37231 2/20 0.48
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ FABP2 P12104 1/20 0.44
▸ SLC22A12 Q96S37 1/20 0.44
▸ FAAH O00519 1/20 0.44
▸ TSHR P16473 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ POLB P06746 2/20 0.42

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
SCHEMBL16303954 0.89 PPARA (0.61) PPARAEPHX2MEN1KMT2ACYP1A2
SCHEMBL805971 0.89 PPARA (0.61) PPARAEPHX2MEN1KMT2ACYP1A2
SCHEMBL1304683 0.85 PPARA (0.61) PPARAEPHX2MEN1KMT2ACYP1A2
SCHEMBL1304254 0.84 RAB9A (0.69) PPARAEPHX2MEN1KMT2ACYP1A2
SCHEMBL1305108 0.84 PPARA (0.54) PPARAEPHX2MEN1KMT2ACYP1A2
SCHEMBL1304551 0.82 EPHX2 (0.63) PPARAEPHX2MEN1KMT2ACYP1A2
SCHEMBL1305198 0.82 PPARA (0.53) PPARAEPHX2MEN1KMT2ACYP1A2
SCHEMBL16743451 0.82 PPARA (0.56) PPARAEPHX2MEN1KMT2ACYP1A2
SCHEMBL1304620 0.81 CYP1A2 (0.60) PPARAEPHX2MEN1KMT2ACYP1A2
SCHEMBL1305432 0.80 MAPT (0.64) PPARAEPHX2MEN1KMT2ACYP1A2

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
WO-2007044309-A2 DEVICE AND METHOD FOR INHIBITING AGE COMPLEX FORMATION VASIX CORPORATION (US) 2007-04-19 — — WO disclosed
US-6337350-B1 CROSSLINKING INHIBITION OF PROTEINS CITY OF HOPE 2002-01-08 — — US disclosed
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