SCHEMBL1077289

SCHEMBL1077289

C=CC/C=C(/CCCCC)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.42
TSHR P16473 4/20 0.42
KDM4E B2RXH2 2/20 0.42
SOAT1 P35610 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
CNR1 P21554 1/20 0.40
CES2 O00748 4/20 0.39
CES1 P23141 4/20 0.39
AKR1B1 P15121 1/20 0.38
PPARG P37231 4/20 0.36
PPARD Q03181 4/20 0.36
PPARA Q07869 4/20 0.36
GPR84 Q9NQS5 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL1076720 1.00 FAAH (0.42) FAAHTSHRKDM4ESOAT1MEN1
SCHEMBL7677056 0.84 AKR1B1 (0.43) FAAHTSHRMEN1KMT2ACES2
SCHEMBL7674491 0.82 TSHR (0.46) FAAHTSHRKDM4EMEN1KMT2A
SCHEMBL1843576 0.82 TSHR (0.46) FAAHTSHRKDM4EMEN1KMT2A
SCHEMBL15528590 0.81 FAAH (0.42) FAAHTSHRKDM4ESOAT1MEN1
SCHEMBL2784477 0.81 PAOX (0.31) CYP1A2ALDH1A1TDP1HSD17B10
SCHEMBL2483445 0.79 FAAH (0.50) FAAHTSHRKDM4ESOAT1MEN1
SCHEMBL1503292 0.79 FAAH (0.55) FAAHKDM4ESOAT1MEN1KMT2A
SCHEMBL30777646 0.79 FAAH (0.50) FAAHTSHRKDM4ESOAT1MEN1
SCHEMBL1503290 0.79 FAAH (0.55) FAAHKDM4ESOAT1MEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US claimed
US-20120328681-A1 CERIA FOR USE AS AN ANTIMICROBIAL BARRIER AND DISINFECTANT IN A WOUND DRESSING MOLYCORP MINERALS, LLC (US) 2012-12-27 US disclosed
EP-2451271-A1 CERIA FOR USE AS AN ANTIMICROBIAL BARRIER AND DISINFECTANT IN A WOUND DRESSING Molycorp Minerals, LLC (US) 2012-05-16 EP disclosed
WO-2011005770-A1 CERIA FOR USE AS AN ANTIMICROBIAL BARRIER AND DISINFECTANT IN A WOUND DRESSING MOLYCORP MINERALS LLC (US) 2011-01-13 WO disclosed
US-20110002971-A1 CERIA FOR USE AS AN ANTIMICROBIAL BARRIER AND DISINFECTANT IN A WOUND DRESSING MOLYCORP MINERALS, LLC (US) 2011-01-06 US disclosed
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US disclosed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US disclosed