SCHEMBL9717404

SCHEMBL9717404

O=C(CCCC(=O)NCCCO)NCCCO

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
NAAA Q02083 1/20 0.54
CNR1 P21554 3/20 0.53
DNM1 Q05193 1/20 0.47
CASP2 P42575 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FAAH O00519 3/20 0.45
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL6940499 0.95 NAAA (0.54) TSHRNAAACNR1DNM1CASP2
SCHEMBL620134 0.95 NAAA (0.54) TSHRNAAACNR1DNM1CASP2
SCHEMBL14984043 0.92 NAAA (0.57) TSHRNAAACNR1DNM1CASP2
SCHEMBL9717412 0.92 NAAA (0.56) TSHRNAAACNR1DNM1CASP2
SCHEMBL9754512 0.90 NAAA (0.55) TSHRNAAACNR1DNM1CASP2
SCHEMBL12834799 0.90 NAAA (0.65) TSHRNAAACNR1DNM1CASP2
SCHEMBL14516258 0.89 TSHR (0.52) TSHRNAAACNR1DNM1CASP2
SCHEMBL7776009 0.88 CNR1 (0.49) TSHRNAAACNR1DNM1CASP2
SCHEMBL16392705 0.88 CNR1 (0.49) TSHRNAAACNR1DNM1CASP2
SCHEMBL14984046 0.87 NAAA (0.63) TSHRNAAACNR1DNM1CASP2

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
US-5086104-A Mixture of thermoplastic resin, elastomer and amide compound, excellent toughtness, heat resistance and durability POLYPLASTICS CO., LTD. (JP) 1992-02-04 US disclosed