SCHEMBL31324737

SCHEMBL31324737

CCCCCCCC/C=C\CCCCCCCC(=O)NCCCCN(C)CCCNC(=O)CCCCCCCCCCCCCCCCCN(C)C

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.72
EPHX2 P34913 3/20 0.65
SLC6A5 Q9Y345 2/20 0.64
CNR1 P21554 3/20 0.60
ALDH1A1 P00352 2/20 0.60
HPGD P15428 2/20 0.60
TRPV1 Q8NER1 1/20 0.60
MEN1 O00255 1/20 0.60
MAPT P10636 1/20 0.60
ALOX12 P18054 1/20 0.60
BLM P54132 1/20 0.60
KMT2A Q03164 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
KDM4E B2RXH2 1/20 0.57
LPAR1 Q92633 1/20 0.57

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
Bromide SCHEMBL30094697 0.95 EPHX2 (0.68) DNM1EPHX2SLC6A5CNR1ALDH1A1
Bromide SCHEMBL30094567 0.95 EPHX2 (0.68) DNM1EPHX2SLC6A5CNR1ALDH1A1
SCHEMBL6127761 0.93 DNM1 (0.82) DNM1EPHX2SLC6A5CNR1ALDH1A1
SCHEMBL6417641 0.93 DNM1 (0.82) DNM1EPHX2SLC6A5CNR1ALDH1A1
SCHEMBL75309 0.93 DNM1 (0.82) DNM1EPHX2SLC6A5CNR1ALDH1A1
SCHEMBL25134837 0.93 DNM1 (0.82) DNM1EPHX2SLC6A5CNR1ALDH1A1
SCHEMBL9505196 0.93 DNM1 (0.82) DNM1EPHX2SLC6A5CNR1ALDH1A1
SCHEMBL14060400 0.93 DNM1 (0.82) DNM1EPHX2SLC6A5CNR1ALDH1A1
SCHEMBL3427754 0.93 DNM1 (0.82) DNM1EPHX2SLC6A5CNR1ALDH1A1
SCHEMBL4622859 0.93 DNM1 (0.82) DNM1EPHX2SLC6A5CNR1ALDH1A1

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
WO-2025006991-A1 ANHYDROUS HAIR TREATMENT COMPOSITION COMPRISING ALPHA HYDROXY ACID ESTER L'OREAL (FR) 2025-01-02 WO disclosed