SCHEMBL13498486

SCHEMBL13498486

Cc1cc(C)cc(COc2cc(OCc3cc(C)cc(C)c3)cc(C(=O)OCCO)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.50
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAOB P27338 4/20 0.41
▸ ALKBH1 Q13686 1/20 0.41
▸ CNR1 P21554 2/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ BRD2 P25440 1/20 0.36

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
SCHEMBL18210849 0.95 PARP10 (0.52) PARP10MEN1KMT2AMAOBALKBH1
SCHEMBL13498484 0.84 ALDH1A1 (0.52) PARP10MEN1KMT2ACNR1CNR2
SCHEMBL13498485 0.82 PARP10 (0.55) PARP10MEN1KMT2AMAOBALKBH1
SCHEMBL27880093 0.81 CNR1 (0.50) CNR1CNR2CA12CA1CA2
SCHEMBL14107663 0.78 SERPINE1 (0.47) CNR1CNR2CA12CA1CA2
SCHEMBL14038141 0.78 CA12 (0.53) PARP10MEN1KMT2AMAOBSMN1; SMN2
SCHEMBL14456118 0.76 PARP10 (0.55) PARP10MAOBALKBH1SMN1; SMN2HDAC8
SCHEMBL8055908 0.75 CA12 (0.58) PARP10MEN1KMT2AMAOBCA12
SCHEMBL13291117 0.75 TDP1 (0.52) KMT2ACNR1CNR2SMN1; SMN2CA12
SCHEMBL3439662 0.74 CA12 (0.50) PARP10MEN1KMT2ACNR1CNR2

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
US-9487631-B2 Surface active polymeric systems UNIVERSITY OF DURHAM (GB) 2016-11-08 — — US disclosed
US-20100036054-A1 NOVEL SURFACE ACTIVE POLYMERIC SYSTEMS UNIVERSITY OF DURHAM (GB) 2010-02-11 — — US disclosed
Send feedback