SCHEMBL16449236

SCHEMBL16449236

CC(C)CC(O)CNCCN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.40
CA6 P23280 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
CA5B Q9Y2D0 3/20 0.40
CA2 P00918 2/20 0.40
CA3 P07451 2/20 0.40
CA4 P22748 2/20 0.40
CA5A P35218 2/20 0.40
ANPEP P15144 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.38
KISS1R Q969F8 2/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CA1 P00915 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL1644428 0.81 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL27309223 0.81 CA12 (0.42) CA12CA6CA7CA9CA14
SCHEMBL8590132 0.80 KISS1R (0.37) ANPEPMEN1KMT2AKISS1RALDH1A1
SCHEMBL9053156 0.80 KISS1R (0.37) ANPEPMEN1KMT2AKISS1RALDH1A1
SCHEMBL11474821 0.80 KISS1R (0.37) ANPEPMEN1KMT2AKISS1RALDH1A1
SCHEMBL27794421 0.79
SCHEMBL27050461 0.78 PKM (0.35) ANPEPMEN1KMT2AKISS1RLMNA
SCHEMBL2426099 0.77
SCHEMBL13960766 0.77 CA12 (0.41) CA12CA6CA7CA9CA14
SCHEMBL27050454 0.77 KISS1R (0.41) ANPEPKISS1RKDM4EDNPEPCYP2C19

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-8951409-B2 Polyalkylene epoxy polyamine additives for fouling mitigation in hydrocarbon refining processes EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2015-02-10 US disclosed