SCHEMBL20675950

SCHEMBL20675950

CCCNCCCCCCN(CCC)CCCN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.43
CA12 O43570 2/20 0.43
F13A1 P00488 2/20 0.43
CA2 P00918 2/20 0.43
CYP1A2 P05177 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
THPO P40225 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CASP2 P42575 2/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL324690 0.92 CA12 (0.50) ALOX15CA12F13A1CA2CYP1A2
SCHEMBL323341 0.92 CA12 (0.50) ALOX15CA12F13A1CA2CYP1A2
SCHEMBL15078094 0.91 TDP1 (0.39) ALOX15CA12F13A1CA2CYP1A2
SCHEMBL324827 0.90 ALOX15 (0.52) ALOX15CA12F13A1CA2CYP1A2
SCHEMBL7513632 0.90 ALOX15 (0.54) ALOX15CA12F13A1CA2CYP1A2
SCHEMBL21896480 0.89 CYP2C19 (0.43) ALOX15CA12F13A1CA2CYP1A2
SCHEMBL11235151 0.88 TSHR (0.48) CYP1A2MEN1KMT2ACYP2C19TSHR
SCHEMBL8504211 0.87 RELA (0.50) ALOX15CA12F13A1CA2CYP1A2
SCHEMBL7513624 0.86 CA12 (0.52) ALOX15CA12F13A1CA2CYP1A2
SCHEMBL6707213 0.86 TDP1 (0.57) ALOX15CA12F13A1CA2CYP1A2

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-10752865-B2 Polyethylene glycol-based composition comprising functionalized siloxane polymers THE PROCTER & GAMBLE COMPANY (US) 2020-08-25 US disclosed
US-20190024019-A1 FUNCTIONALIZED SILOXANE POLYMERS AND COMPOSITIONS COMPRISING SAME THE PROCTER & GAMBLE COMPANY 2019-01-24 US disclosed