SCHEMBL13317352

SCHEMBL13317352

CCC(=O)Oc1cc(OC(=O)CC)cc(C(C)CC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.53
HIF1A Q16665 2/20 0.53
KMT2A Q03164 3/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
ACHE P22303 3/20 0.41
ALOX15 P16050 2/20 0.41
ELANE P08246 2/20 0.40
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 2/20 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
SCHEMBL10138524 0.84 TSHR (0.44) KMT2ASMN1; SMN2ALDH1A1TSHRHDAC4
SCHEMBL1790707 0.83 ACHE (0.55) ESR1HIF1AKMT2ARECQLSMN1; SMN2
SCHEMBL1790141 0.82 ESR1 (0.72) ESR1HIF1AKMT2ARECQLSMN1; SMN2
SCHEMBL13317356 0.82 ELANE (0.44) ESR1HIF1AKMT2AALDH1A1TSHR
SCHEMBL27999268 0.79 ESR1 (0.46) ESR1HIF1AKMT2ARECQLSMN1; SMN2
SCHEMBL12599394 0.79 ESR1 (0.58) ESR1HIF1AKMT2ARECQLSMN1; SMN2
SCHEMBL13133217 0.75 SMN1; SMN2 (0.50) ESR1HIF1AKMT2ARECQLSMN1; SMN2
SCHEMBL27450325 0.75 KMT2A (0.53) ESR1HIF1AKMT2ARECQLSMN1; SMN2
SCHEMBL15165087 0.75 SMN1; SMN2 (0.50) ESR1HIF1AKMT2ARECQLSMN1; SMN2
SCHEMBL10138510 0.72 ALDH1A1 (0.50) KMT2ASMN1; SMN2ALDH1A1TSHRALOX15

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
US-7732549-B2 Multi-branched polymer NIPPON SODA CO., LTD. (JP) 2010-06-08 US disclosed
US-7732549-B2 Multi-branched polymer NIPPON SODA CO., LTD. (JP) 2010-06-08 US disclosed
US-20070142504-A1 Novel multi-branched polymer NIPPON SODA CO., LTD. (JP) 2007-06-21 US disclosed
US-20070142504-A1 Novel multi-branched polymer NIPPON SODA CO., LTD. (JP) 2007-06-21 US disclosed