SCHEMBL9636788

SCHEMBL9636788

C=CC(=O)OCCCC.CC=C(C)C(=O)OCCN

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.63
HPGD P15428 1/20 0.63
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 1/20 0.46
ATM Q13315 1/20 0.45
HCAR2 Q8TDS4 3/20 0.41
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 3/20 0.37
CNR1 P21554 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
SCHEMBL5325148 0.85 TSHR (0.64) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL4328170 0.85 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL8862303 0.82 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4ATM
Hydrochloric Acid SCHEMBL2948272 0.82 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4ATM
Acrylic Acid SCHEMBL28223786 0.82 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL25431935 0.81 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL262657 0.81 ALDH1A1 (0.58) TSHRHPGDALDH1A1ATMHCAR2
SCHEMBL873334 0.81 ALDH1A1 (0.58) TSHRHPGDALDH1A1ATMHCAR2
SCHEMBL721147 0.81 ALDH1A1 (0.58) TSHRHPGDALDH1A1ATMHCAR2
SCHEMBL1615355 0.80 TSHR (0.73) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0262464-B1 POLYAMINE-POLYENE ULTRAVIOLET COATINGS DSM N.V. (NL) 1992-06-24 EP disclosed
EP-0262464-A2 Polyamine-polyene ultraviolet coatings DSM N.V. (NL) 1988-04-06 EP disclosed