SCHEMBL9716849

SCHEMBL9716849

CN(C=O)CCCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
SLC22A6 Q4U2R8 2/20 0.43
TSHR P16473 5/20 0.42
NFKB1 P19838 1/20 0.42
PMP22 Q01453 1/20 0.42
AKR1B1 P15121 1/20 0.41
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 7/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
HDAC11 Q96DB2 5/20 0.39
PTPN1 P18031 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL1712696 0.86
SCHEMBL9825916 0.84 KDM4C (0.34) ALOX15KMT2A
SCHEMBL12450514 0.76 LMNA (0.48) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL27684562 0.76 KDM4A (0.52) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL11771846 0.75 KDM4C (0.57) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL145724 0.75
SCHEMBL16792232 0.74 CAMK2A (0.46) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL739305 0.73
Hydrochloric Acid SCHEMBL4520823 0.73 KDM4A (0.59) LMNASLC22A6TSHRNFKB1PMP22
Methane SCHEMBL28698626 0.73 KDM4A (0.53) LMNASLC22A6TSHRNFKB1PMP22

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-5106951-A Antineoplastic anthracyline agents intercalated with two aromatic side chains or an oligopeptide and covalently attached to an antibody NEORX CORPORATION (US) 1992-04-21 US disclosed
EP-0329184-A2 Antimers and antimeric conjugation NEORX CORPORATION (US) 1989-08-23 EP disclosed