SCHEMBL9007752

SCHEMBL9007752

C=CC(=O)OCCC(CCCC)COC(=O)C=C

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.77
HPGD P15428 1/20 0.61
ALDH1A1 P00352 5/20 0.47
CYP3A4 P08684 3/20 0.47
ATM Q13315 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
TP53 P04637 2/20 0.43
HIF1A Q16665 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HCAR2 Q8TDS4 3/20 0.41
THRB P10828 1/20 0.41
CA2 P00918 1/20 0.40
RECQL P46063 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL1480795 0.93 TSHR (0.87) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL7620022 0.90 TSHR (0.81) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL31661158 0.90 TSHR (0.81) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL19456761 0.90 TSHR (0.87) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL31661155 0.89 TSHR (0.79) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL31448301 0.89 TSHR (0.79) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL1741907 0.89 TSHR (0.73) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL41831 0.89 TSHR (0.64) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL729516 0.89 TSHR (0.79) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL729740 0.89 TSHR (0.79) TSHRHPGDALDH1A1CYP3A4ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0429009-B1 Method of making shaped articles MITSUBISHI RAYON CO (JP) 1996-10-23 EP disclosed
US-5503897-A POLYMER LAYER DERIVED FROM MULTIFUNCTIONAL MONOMER(S) HAVING AT LEAST TWO (METH)ACRYLOYLOXY GROUPS PER MOLECULE; UV RADIATION THROUGH CONTROLLING MATERIAL; ALKALI TREATMENT MITSUBISHI RAYON CO., LTD. (JP) 1996-04-02 US disclosed
EP-0429009-A2 Method of making shaped articles MITSUBISHI RAYON CO., LTD. (JP) 1991-05-29 EP disclosed