SCHEMBL3663636

SCHEMBL3663636

CCOC(=O)Cn1n[c]c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 6/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL14916109 0.78 ELANE (0.43) ALDH1A1KDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL3715412 0.74 SLC18A3 (0.40) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2490943 0.72 TP53 (0.67) ALDH1A1KDM4EKMT2AHSD17B10SMN1; SMN2
SCHEMBL29427445 0.72 GAA (0.55) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL31602755 0.72 HSD17B10 (0.67) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL6015870 0.72 ALDH1A1 (0.54) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL3626813 0.72 HSD17B10 (0.67) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL13791090 0.71 GAA (0.54) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL15623056 0.70 GAA (0.56) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL151122 0.69 KDM4E (0.71) ALDH1A1KDM4ETSHRMEN1KMT2A

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-2212329-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORP (KR) 2014-07-30 EP claimed
EP-2212329-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) Choongwae Pharma Corporation (KR) 2010-08-04 EP claimed
WO-2009051399-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 WO claimed
EP-2212329-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORP (KR) 2014-07-30 EP disclosed