SCHEMBL5551702

SCHEMBL5551702

NCCCCNCCCOP(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
F13A1 P00488 2/20 0.48
CA2 P00918 2/20 0.48
CYP1A2 P05177 2/20 0.48
ALOX15 P16050 2/20 0.48
CA4 P22748 2/20 0.48
CA6 P23280 2/20 0.48
CA5A P35218 2/20 0.48
THPO P40225 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA5B Q9Y2D0 2/20 0.48
CA1 P00915 1/20 0.48
CA3 P07451 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
MTOR P42345 1/20 0.48
SAT1 P21673 1/20 0.47

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
SCHEMBL9172734 0.86 DRD3 (0.52) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL182837 0.83 LPAR3 (0.58) CYP1A2THPOTSHRLMNABLM
SCHEMBL14782501 0.82 ANPEP (0.44) CA12CA2ALOX15CA4CA6
SCHEMBL4518749 0.81 LPAR3 (0.61) CA12CA2CYP1A2CA4CA6
SCHEMBL4521470 0.81 LPAR3 (0.61) CA12CA2CYP1A2CA4CA6
SCHEMBL4529975 0.81 LPAR3 (0.61) CA12CA2CYP1A2CA4CA6
SCHEMBL28707 0.81 LPAR3 (0.61) CA12CA2CYP1A2CA4CA6
SCHEMBL4526591 0.81 LPAR3 (0.61) CA12CA2CYP1A2CA4CA6
SCHEMBL4538834 0.81 LPAR3 (0.61) CA12CA2CYP1A2CA4CA6
SCHEMBL4532688 0.81 LPAR3 (0.61) CA12CA2CYP1A2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US claimed