SCHEMBL11089988

SCHEMBL11089988

COC(=O)CCCC(=O)C=[N+]=[N-]

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
FAAH O00519 1/20 0.46
OXER1 Q8TDS5 2/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX5 P09917 1/20 0.40
POLB P06746 1/20 0.40
POLA1 P09884 1/20 0.40
RECQL P46063 1/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL3713004 0.85 FAAH (0.60) TSHRFAAHOXER1ALDH1A1LMNA
SCHEMBL11252256 0.83 FAAH (0.53) FAAHALDH1A1L3MBTL1
SCHEMBL50039 0.76 TSHR (1.00) TSHROXER1ALDH1A1LMNAMEN1
SCHEMBL21604389 0.75 SLC22A6 (0.50) TSHRFAAHOXER1ALDH1A1LMNA
SCHEMBL22309941 0.75 TSHR (0.68) TSHROXER1ALDH1A1LMNAMEN1
SCHEMBL23113780 0.74 FAAH (0.69) TSHRFAAHALDH1A1MEN1KMT2A
SCHEMBL8852310 0.74 TSHR (0.65) TSHROXER1ALDH1A1LMNAMEN1
Dimethyl Succinate SCHEMBL7262656 0.73 TSHR (0.94) TSHROXER1ALDH1A1LMNAMEN1
SCHEMBL8582764 0.73 TSHR (0.94) TSHROXER1ALDH1A1LMNAMEN1
SCHEMBL8584321 0.73 TSHR (0.94) TSHROXER1ALDH1A1LMNAMEN1

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-4489091-A ESTERASE AND ANTIBODY INHIBITORS TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1984-12-18 US disclosed
US-4411911-A Method of treating hyperlipidemia and inflammation with sulfonate derivatives TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1983-10-25 US disclosed