SCHEMBL25680587

SCHEMBL25680587

CCNC(=O)CCOCC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MCL1 Q07820 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
NAMPT P43490 1/20 0.38
KMT2A Q03164 1/20 0.37
THRB P10828 1/20 0.36
RAB9A P51151 1/20 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
SCHEMBL15082725 0.96 FAAH (0.45) FAAHSMN1; SMN2TSHRALDH1A1MCL1
SCHEMBL30018622 0.96 FAAH (0.45) FAAHSMN1; SMN2TSHRALDH1A1MCL1
SCHEMBL24080462 0.92 FAAH (0.42) FAAHSMN1; SMN2TSHRALDH1A1MCL1
SCHEMBL16976898 0.85 FAAH (0.59) FAAHSMN1; SMN2TSHRGAAHPGD
SCHEMBL25889978 0.84 FAAH (0.47) FAAHSMN1; SMN2TSHRMCL1HPGD
SCHEMBL16560387 0.84 FAAH (0.52) FAAHTSHRMCL1GAAHPGD
SCHEMBL2119757 0.83 SMN1; SMN2 (0.46) FAAHSMN1; SMN2TSHRALDH1A1MCL1
SCHEMBL15082321 0.83 FAAH (0.50) FAAHTSHRMCL1GAAHPGD
SCHEMBL25582497 0.83 FAAH (0.45) FAAHTSHRALDH1A1MCL1GAA
SCHEMBL27056720 0.83 FAAH (0.50) FAAHTSHRMCL1GAAHPGD

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-2023114198-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed