SCHEMBL3422014

SCHEMBL3422014

C#Cc1ccc(C(=O)N(C)C#C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NSD2 O96028 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
PYCR1 P32322 1/20 0.34
AKR1C3 P42330 1/20 0.34
F10 P00742 1/20 0.34
MAPT P10636 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
PTPN1 P18031 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
ACACB O00763 1/20 0.33

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
SCHEMBL5048072 0.84 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2F10MAPT
SCHEMBL14818024 0.82 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2
SCHEMBL3610292 0.79 HPGD (0.56) ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL123989 0.77 NSD2 (0.42) ALDH1A1HPGDSMN1; SMN2NSD2PYCR1
SCHEMBL8160105 0.75 HDAC4 (0.45) NSD2HDAC8ACACB
SCHEMBL21115241 0.74 NSD2 (0.43) ALDH1A1NSD2HDAC8ACACB
SCHEMBL15801078 0.74 DRD2 (0.40) NSD2HDAC8ACACB
SCHEMBL19543258 0.73 ALDH1A1 (0.48) ALDH1A1HPGDNSD2HDAC8ACACB
SCHEMBL737226 0.73 MAPT (0.48) ALDH1A1HPGDSMN1; SMN2PYCR1MAPT
SCHEMBL13582530 0.72 CES2 (0.48) CA12CA1CA2CA4CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2359862-B1 Hybrid block copolymer micelles with mixed stereochemistry for encapsulation of hydrophobic agents INTEZYNE TECHNOLOGIES INC (US) 2013-07-24 EP claimed
EP-2073850-B1 HYBRID BLOCK COPOLYMER MICELLES WITH MIXED STEREOCHEMISTRY FOR ENCAPSULATION OF HYDROPHOBIC AGENTS INTEZYNE TECHNOLOGIES INC (US) 2010-10-27 EP claimed
EP-1907444-B1 POLYMERIC MICELLES FOR DRUG DELIVERY INTEZYNE TECHNOLOGIES INC (US) 2009-08-19 EP claimed