SCHEMBL8652116

SCHEMBL8652116

O=C(O)CCCCON1C(=O)CCC1=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.56
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
TBXA2R P21731 6/20 0.38
TBXAS1 P24557 3/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 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
SCHEMBL28511791 0.94 ALOX12 (0.53) ALOX12TDP1ALDH1A1SMN1; SMN2HPGD
SCHEMBL3043213 0.86 ALOX12 (0.47) ALOX12ALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL22193741 0.82 ALOX12 (0.49) ALOX12TDP1SMN1; SMN2HPGDLMNA
SCHEMBL11289350 0.80 ALOX12 (0.51) ALOX12TDP1TSHRTBXA2RTBXAS1
SCHEMBL25499775 0.78 ALOX12 (0.45) ALOX12TDP1ALDH1A1SMN1; SMN2LMNA
Octanedioate SCHEMBL7080168 0.78 TSHR (0.55) TDP1ALDH1A1LMNATSHRNFKB1
SCHEMBL290460 0.78 LMNA (0.41) SMN1; SMN2LMNATSHRNFKB1PMP22
SCHEMBL25408775 0.76 TSHR (0.43) TDP1ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL25408793 0.76 TSHR (0.43) TDP1ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL25408300 0.76 TSHR (0.43) TDP1ALDH1A1SMN1; SMN2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5807688-A ANTIBODY DIRECTED ANZYME PRODRUG THERAPY ZENECA LIMITED (GB) 1998-09-15 US disclosed
EP-0745673-A2 Catalytic antibody regulated prodrug therapy ZENECA LIMITED (GB) 1996-12-04 EP disclosed