SCHEMBL5545146

SCHEMBL5545146

C=CCC(CCCN1C(=O)c2ccccc2C1=O)(C(C)=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.41
HDAC8 Q9BY41 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40

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
SCHEMBL8837648 0.85 MEN1 (0.45) POLBMEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL8944830 0.83 SMN1; SMN2 (0.53) MEN1KMT2AHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL8887803 0.76 ALDH1A1 (0.48) POLBMEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL7104225 0.76 POLB (0.46) POLBSMN1; SMN2KDM4ELMNATDP1
SCHEMBL4889359 0.74 MMP2 (0.51) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL8531541 0.72 POLB (0.56) POLBMEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL30881314 0.72 SMN1; SMN2 (0.50) KMT2AHSD17B10SMN1; SMN2ALDH1A1TDP1
SCHEMBL10544728 0.72 ALDH1A1 (0.39) ALDH1A1MAPT
SCHEMBL9226627 0.70 MEN1 (0.46) POLBMEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL6578349 0.70 TDP1 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA

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
EP-1799675-A1 PROCESS FOR PREPARING OPTICALLY PURE ZOLMITRIPTAN Dr. Reddy's Laboratories Ltd. (IN) 2007-06-27 EP claimed
WO-2005105792-A1 PROCESS FOR PREPARING OPTICALLY PURE ZOLMITRIPTAN DR. REDDY'S LABORATORIES LTD. (IN) 2005-11-10 WO claimed