SCHEMBL12758247

SCHEMBL12758247

C=CCN(/C=C/C=C(\C(=O)OCCCCCCCC)S(C)(=O)=O)CC=C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.40
▸ HCAR2 Q8TDS4 3/20 0.39
▸ HPGD P15428 1/20 0.36
▸ NAAA Q02083 1/20 0.34
▸ RAD52 P43351 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ FAAH O00519 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL12382057 0.88 TSHR (0.41) TSHRHCAR2HPGDNAAARAD52
SCHEMBL12758248 0.79 TSHR (0.40) TSHRHCAR2HPGDNAAARAD52
SCHEMBL2398240 0.70 ALDH1A1 (0.40) TSHRHCAR2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL39398 0.70 ALDH1A1 (0.40) TSHRHCAR2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL18698648 0.70 ALDH1A1 (0.40) TSHRHCAR2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL12382048 0.70 ALDH1A1 (0.40) TSHRHCAR2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL39397 0.70 ALDH1A1 (0.40) TSHRHCAR2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL9889213 0.70 ALDH1A1 (0.40) TSHRHCAR2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL9629063 0.70 ALDH1A1 (0.40) TSHRHCAR2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL14456208 0.70 TSHR (0.46) TSHRHCAR2NAAARAD52NPSR1

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-20110057155-A1 ULTRAVIOLET ABSORBENT COMPOSITION FUJIFILM CORPORATION (JP) 2011-03-10 — — US disclosed
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