SCHEMBL29310049

SCHEMBL29310049

Cc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN2C(=O)C=CC2=O)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
TTR P02766 1/20 0.39
IL2 P60568 1/20 0.39
PTGS1 P23219 4/20 0.39
PTGS2 P35354 4/20 0.39
HDAC3 O15379 11/20 0.38
HDAC4 P56524 11/20 0.38
HDAC1 Q13547 11/20 0.38
HDAC7 Q8WUI4 11/20 0.38
HDAC2 Q92769 11/20 0.38
HDAC10 Q969S8 11/20 0.38
HDAC11 Q96DB2 11/20 0.38
HDAC8 Q9BY41 11/20 0.38
HDAC6 Q9UBN7 11/20 0.38
HDAC9 Q9UKV0 11/20 0.38
HDAC5 Q9UQL6 11/20 0.38
MGLL Q99685 1/20 0.37
CYP1A2 P05177 2/20 0.37

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
SCHEMBL19380534 0.81 HPGD (0.63) HPGDSMN1; SMN2HTTPTGS1PTGS2
SCHEMBL24686272 0.81 HPGD (0.63) HPGDSMN1; SMN2HTTPTGS1PTGS2
SCHEMBL20550737 0.81 PTGS1 (0.52) HPGDSMN1; SMN2HTTPTGS1PTGS2
SCHEMBL24687404 0.81 HPGD (0.63) HPGDSMN1; SMN2HTTPTGS1PTGS2
SCHEMBL24686939 0.81 HPGD (0.63) HPGDSMN1; SMN2HTTPTGS1PTGS2
SCHEMBL24687310 0.81 HPGD (0.63) HPGDSMN1; SMN2HTTPTGS1PTGS2
SCHEMBL24686268 0.81 HPGD (0.63) HPGDSMN1; SMN2HTTPTGS1PTGS2
SCHEMBL24686927 0.81 HPGD (0.63) HPGDSMN1; SMN2HTTPTGS1PTGS2
SCHEMBL24687409 0.81 HPGD (0.63) HPGDSMN1; SMN2HTTPTGS1PTGS2
SCHEMBL24686941 0.81 HPGD (0.63) HPGDSMN1; SMN2HTTPTGS1PTGS2

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-3773735-B1 CONJUGATE OF CYTOTOXIC DRUG AND PRODRUG FORM OF SAID CONJUGATE SYNDIVIA (FR) 2024-07-10 EP disclosed