SCHEMBL8025616

SCHEMBL8025616

CC(C)(S)CNCCNCCCCCN

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA2 P00918 3/20 0.50
ALOX15 P16050 3/20 0.50
CA4 P22748 3/20 0.50
CA6 P23280 3/20 0.50
CA5A P35218 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
CA5B Q9Y2D0 3/20 0.50
F13A1 P00488 2/20 0.50
CYP1A2 P05177 2/20 0.50
THPO P40225 2/20 0.50
CA1 P00915 2/20 0.50
CA3 P07451 2/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
MTOR P42345 1/20 0.50
LMNA P02545 3/20 0.48

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
SCHEMBL5733012 0.89 TSHR (0.38) CA12CA2ALOX15CA4CA6
SCHEMBL7794644 0.83
SCHEMBL21799884 0.79 CA12 (0.52) CA12CA2ALOX15CA4CA6
SCHEMBL21799821 0.79 CA12 (0.52) CA12CA2ALOX15CA4CA6
SCHEMBL21799486 0.79 CA12 (0.52) CA12CA2ALOX15CA4CA6
SCHEMBL21799716 0.79 CA12 (0.52) CA12CA2ALOX15CA4CA6
SCHEMBL21799623 0.79 CA12 (0.52) CA12CA2ALOX15CA4CA6
SCHEMBL21367242 0.79 CA12 (0.52) CA12CA2ALOX15CA4CA6
SCHEMBL21799603 0.79 CA12 (0.52) CA12CA2ALOX15CA4CA6
SCHEMBL21799961 0.79 CA12 (0.52) CA12CA2ALOX15CA4CA6

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-0975669-A1 CALCITONIN RECEPTOR-BINDING PEPTIDES Diatide, Inc. (US) 2000-02-02 EP disclosed
WO-1998049196-A1 CALCITONIN RECEPTOR-BINDING PEPTIDES DIATIDE, INC. (US) 1998-11-05 WO disclosed
EP-0720621-A1 RADIOLABELED SOMATOSTATIN-DERIVED PEPTIDES FOR IMAGING AND THERAPEUTIC USES Diatide, Inc. (US) 1996-07-10 EP disclosed