SCHEMBL22986826

SCHEMBL22986826

CCCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)N(N)C(=O)CCCCCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CYP2D6 P10635 2/20 0.47
▸ SPHK1 Q9NYA1 2/20 0.47
▸ GMNN O75496 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CETP P11597 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ UBE2N P61088 1/20 0.47
▸ FFAR4 Q5NUL3 1/20 0.46
▸ FFAR1 O14842 1/20 0.46

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
SCHEMBL8609400 0.84 MEN1 (0.51) MEN1KMT2ACYP2D6SPHK1GMNN
SCHEMBL7802464 0.76 FAAH (0.49) MEN1KMT2AGMNNLMNAPOLB
SCHEMBL6487020 0.74 ALDH1A1 (0.61) MEN1KMT2ASPHK1FFAR4FFAR1
SCHEMBL20154334 0.74 ALDH1A1 (0.61) MEN1KMT2ASPHK1FFAR4FFAR1
SCHEMBL15057401 0.73 SPHK1 (0.55) MEN1KMT2ACYP2D6SPHK1GMNN
SCHEMBL21636787 0.73 SPHK1 (0.55) MEN1KMT2ACYP2D6SPHK1GMNN
SCHEMBL21428085 0.73 SPHK1 (0.55) MEN1KMT2ACYP2D6SPHK1GMNN
SCHEMBL7800250 0.73 CYP2D6 (0.47) MEN1KMT2ACYP2D6SPHK1GMNN
SCHEMBL7802392 0.73 CYP2D6 (0.47) MEN1KMT2ACYP2D6SPHK1GMNN
Hydrochloric Acid SCHEMBL7612591 0.72 SPHK1 (0.53) MEN1KMT2ACYP2D6SPHK1GMNN

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
EP-3777891-A1 ARTIFICIALLY SYNTHESIZED SPHINGOSINE DERIVATIVE LIPOID MONOMER AND USE OF SAME FOR DELIVERING NUCLEIC ACID Institute of Basic Medical Sciences, Chinese Academi of Medical Sciences (CN) 2021-02-17 — — EP disclosed
Send feedback