Dodecanoate

Dodecanoate

SCHEMBL2900244

CCCCCCCCCCCC(=O)NCCCNC(=N)N.CCCCCCCCCCCC(=O)O

nearest known ligand 0.62

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.62
KDM4E B2RXH2 1/20 0.58
FAAH O00519 5/20 0.55
CNR1 P21554 2/20 0.54
CNR2 P34972 2/20 0.54
CASP2 P42575 1/20 0.53
PLA2G2A P14555 1/20 0.53
PLA2G4A P47712 1/20 0.53
DNM1 Q05193 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.52
SLC6A5 Q9Y345 1/20 0.52
PPARG P37231 4/20 0.52
PPARD Q03181 4/20 0.52
PPARA Q07869 4/20 0.52
TSHR P16473 3/20 0.52
GPR84 Q9NQS5 3/20 0.52
HDAC11 Q96DB2 3/20 0.52
ALDH1A1 P00352 2/20 0.52

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
Dodecanoate SCHEMBL6938811 0.97 EPHX2 (0.67) EPHX2KDM4EFAAHCNR1CNR2
Acetic Acid SCHEMBL6139074 0.92 FAAH (0.57) EPHX2KDM4EFAAHCNR1CNR2
Acetic Acid SCHEMBL6935928 0.92 FAAH (0.57) EPHX2KDM4EFAAHCNR1CNR2
Hydrochloric Acid SCHEMBL6935959 0.92 FAAH (0.60) EPHX2KDM4EFAAHCASP2DNM1
Hydrochloric Acid SCHEMBL6138622 0.92 FAAH (0.60) EPHX2KDM4EFAAHCASP2DNM1
SCHEMBL8770848 0.92 EPHX2 (0.50) EPHX2KDM4EFAAHCNR1CNR2
SCHEMBL24087524 0.91 CASP2 (0.65) EPHX2KDM4EFAAHCASP2DNM1
SCHEMBL20542925 0.91 CASP2 (0.65) EPHX2KDM4EFAAHCASP2DNM1
SCHEMBL6705635 0.91 CASP2 (0.65) EPHX2KDM4EFAAHCASP2DNM1
SCHEMBL21842282 0.91 CASP2 (0.65) EPHX2KDM4EFAAHCASP2DNM1

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
EP-1285647-B1 Hair cosmetic comprising guanidine derivative and N-alpha-acylarginine AJINOMOTO KK (JP) 2010-08-04 EP disclosed
EP-1285647-A2 Hair cosmetic comprising guanidine derivative and N-alpha-acylarginine Ajinomoto Co., Inc. (JP) 2003-02-26 EP disclosed