SCHEMBL9494552

SCHEMBL9494552

CCCCCCCC/C=C\CCCCCCCCN(CCCCCCCC/C=C\CCCCCCCC)C(C)CN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.42
TRPV1 Q8NER1 1/20 0.42
EPHX2 P34913 4/20 0.42
SOAT1 P35610 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.39
GMNN O75496 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL9494576 1.00 FAAH (0.42) FAAHTRPV1EPHX2SOAT1CYP1A2
SCHEMBL6054200 0.92 EPHX2 (0.41) FAAHTRPV1EPHX2SOAT1CYP1A2
Propionic Acid SCHEMBL7573746 0.89 EPHX2 (0.51) FAAHEPHX2CYP1A2CYP2C19KMT2A
SCHEMBL11820748 0.89 DNM1 (0.42) MEN1KMT2A
SCHEMBL6156030 0.89 DNM1 (0.42) MEN1KMT2A
SCHEMBL29429116 0.89 DNM1 (0.42) MEN1KMT2A
SCHEMBL9547907 0.89 DNM1 (0.42) MEN1KMT2A
SCHEMBL11727370 0.89 DNM1 (0.42) MEN1KMT2A
SCHEMBL10603507 0.89 DNM1 (0.42) MEN1KMT2A
SCHEMBL20461840 0.83 DNM1 (0.41) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0340054-B1 CATIONACTIVE COMPOSITIONS; APPLICATION TO BITUMINOUS EMULSIONS CECA S.A. (FR) 1993-01-27 EP disclosed
EP-0374205-A1 CATION-ACTIVE COMPOSITIONS AND THEIR APPLICATION TO BITUMINOUS EMULSIONS CECA S.A. (FR) 1990-06-27 EP disclosed
EP-0340054-A1 Cationactive compositions; application to bituminous emulsions CECA S.A. (FR) 1989-11-02 EP disclosed
WO-1989009089-A1 CATION-ACTIVE COMPOSITIONS AND THEIR APPLICATION TO BITUMINOUS EMULSIONS CECA S.A. (FR) 1989-10-05 WO disclosed