SCHEMBL5475889

SCHEMBL5475889

CC(C)CC(C)N1CCN(CCN)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
ACE2 Q9BYF1 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KCNJ1 P48048 1/20 0.31
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PRMT1 Q99873 1/20 0.30

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
SCHEMBL13412948 0.82 DRD2 (0.36) SIGMAR1KCNJ1KCNH2MEN1KMT2A
SCHEMBL18536496 0.80
SCHEMBL1307292 0.79 ALOX15 (0.62) ALOX15ACE2SIGMAR1ALDH1A1KCNH2
SCHEMBL13412947 0.78 GNAI3 (0.40) SIGMAR1
SCHEMBL11051675 0.77 ALOX15 (0.59) ALOX15ACE2SIGMAR1ALDH1A1PRMT1
SCHEMBL25725668 0.77 PIK3CD (0.45) KDM4EMEN1KMT2A
SCHEMBL13412945 0.77 KDM4E (0.34) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL13412949 0.76 MC4R (0.38) KCNH2
SCHEMBL27968567 0.76 ALOX15 (0.46) ALOX15ACE2SIGMAR1ALDH1A1KCNH2
SCHEMBL15013001 0.75 ALOX15 (0.56) ALOX15ACE2SIGMAR1ALDH1A1PRMT1

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-20070022908-A1 Cationic-anionic blends for dynamic surface tension reduction AIR PRODUCTS AND CHEMICALS, INC. 2007-02-01 US disclosed
US-7097705-B2 Cationic-anionic blends for dynamic surface tension reduction AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-08-29 US disclosed
US-20030032698-A1 Cationic-anionic blends for dynamic surface tension reduction AIR PRODUCTS AND CHEMICALS, INC. 2003-02-13 US disclosed