SCHEMBL9943601

SCHEMBL9943601

C=Cc1ccc(OCC2CCC(COC(=O)c3ccc(C(=O)OCC4CCC(COc5ccc(C=C)cc5)CC4)cc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.55
PARP10 Q53GL7 4/20 0.55
PARP2 Q9UGN5 2/20 0.55
NR1H4 Q96RI1 1/20 0.42
HPGD P15428 6/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA5 P30532 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
JMJD6 Q6NYC1 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39

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
SCHEMBL15514489 0.84 PARP15 (0.50) PARP15PARP10PARP2HPGDCHRNB2
SCHEMBL20126454 0.83 NPC1 (0.53) PARP15PARP10PARP2DRD2DRD4
SCHEMBL10932224 0.81 PARP10 (0.70) PARP15PARP10PARP2HPGDCHRNB2
SCHEMBL19218155 0.78 ALDH1A1 (0.51) PARP15PARP10PARP2DRD2DRD4
SCHEMBL21309642 0.78 ALDH1A1 (0.51) PARP15PARP10PARP2DRD2DRD4
SCHEMBL16425305 0.77 DRD2 (0.45) PARP15PARP10PARP2DRD2DRD4
SCHEMBL218978 0.77 DRD2 (0.45) PARP15PARP10PARP2DRD2DRD4
SCHEMBL19214417 0.76 ALDH1A1 (0.51) PARP15PARP10PARP2ADRB2ADRB1
SCHEMBL10010079 0.75 PARP10 (0.45) PARP15PARP10PARP2NR1H4HPGD
SCHEMBL927657 0.75 PARP15 (0.66) PARP15PARP10PARP2NR1H4DRD2

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-2669029-A1 METALLIC NANOPARTICLE COMPOSITE AND METHOD FOR PRODUCING THE SAME Maruzen Petrochemical Co., Ltd. (JP) 2013-12-04 EP disclosed
EP-2465885-A1 VINYL ETHER-BASED STAR POLYMER AND PROCESS FOR PRODUCTION THEREOF Maruzen Petrochemical Co., Ltd. (JP) 2012-06-20 EP disclosed