SCHEMBL17010804

SCHEMBL17010804

CC(N(CCCN)CCCN)P(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
BLM P54132 2/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
PMP22 Q01453 1/20 0.43
GABBR2 O75899 4/20 0.40
GABBR1 Q9UBS5 4/20 0.40
CYP1A2 P05177 2/20 0.40
TSHR P16473 1/20 0.40
THPO P40225 1/20 0.40
FDPS P14324 2/20 0.38
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
GABRR1 P24046 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL15187674 0.78 FDPS (0.56) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL28778980 0.76 FDPS (0.41) FDPSALDH1A1TDP1
SCHEMBL6886907 0.72 FDPS (0.64) FDPSALDH1A1TDP1
SCHEMBL1674640 0.70 CHRM2 (0.35) NFKB1TDP1
SCHEMBL5676951 0.70 FDPS (0.42) FDPSALDH1A1TDP1
SCHEMBL9459857 0.69 CHRM2 (0.38) LMNABLMNFKB1TSHRTDP1
Phosphoric Acid SCHEMBL25438862 0.69 TDP1 (0.48) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL7646372 0.68 GABRR1 (0.41) LMNABLMNFKB1GABBR2GABBR1
SCHEMBL7646368 0.68 GABRR1 (0.41) LMNABLMNFKB1GABBR2GABBR1
SCHEMBL9437148 0.67 CHRM2 (0.36) LMNABLMNFKB1TSHRTDP1

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
US-9790385-B2 Ink compositions CABOT CORPORATION (US) 2017-10-17 US disclosed
US-20150315393-A1 INK COMPOSITIONS CABOT CORPORATION 2015-11-05 US disclosed
US-9109128-B2 Ink compositions CABOT CORPORATION (US) 2015-08-18 US disclosed