SCHEMBL8000512

SCHEMBL8000512

CN(C(N)=O)c1ccc(CCO)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 5/20 0.44
CYP4F2 P78329 4/20 0.44
CA2 P00918 5/20 0.43
CA1 P00915 4/20 0.43
CA12 O43570 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
PPARA Q07869 1/20 0.40
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALOX15 P16050 1/20 0.38
AOC3 Q16853 1/20 0.37
MLYCD O95822 1/20 0.35

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
SCHEMBL14053392 0.85 CYP4A11 (0.47) CYP4A11CYP4F2CA2CA1CA12
SCHEMBL16246248 0.83 CYP4F2 (0.46) CYP4A11CYP4F2CA2CA1CA12
SCHEMBL5171523 0.81 CNR1 (0.39) CYP4A11CYP4F2CA2CA1ALOX15
SCHEMBL27321565 0.81 LOXL2 (0.44) HRH3
SCHEMBL27551940 0.79 SMN1; SMN2 (0.36) TSHRTDP1ALOX15HRH3
SCHEMBL8866817 0.76 CYP4F2 (0.57) CYP4A11CYP4F2CA2PPARATSHR
SCHEMBL7996874 0.76 CA1 (0.38) CA2CA1CA12CA4CA9
SCHEMBL66152 0.76 ALDH1A1 (0.58) CYP4A11CYP4F2CA2TSHRTDP1
SCHEMBL13734403 0.74 ALDH1A1 (0.52) TSHRTDP1ALOX15
SCHEMBL16937417 0.74 ALDH1A1 (0.50) TSHR

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
US-6288096-B1 ANTIDIABETIC AGENTS, HYPOTENSIVE AGENTS, AND ANTICHOLESTEROL AGENTS ASTRAZENECA AB (SE) 2001-09-11 US disclosed
EP-0991632-A1 NEW THIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND OXADIAZOLIDINEDIONE DERIVATIVES Astra Aktiebolag (SE) 2000-04-12 EP disclosed
WO-1998057941-A1 NEW THIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND OXADIAZOLIDINEDIONE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1998-12-23 WO disclosed