SCHEMBL2551458

SCHEMBL2551458

CCCCOCC1=CC2CCC1C2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL155171 0.79 SPHK1 (0.33)
SCHEMBL797512 0.77 SPHK1 (0.38)
SCHEMBL1011862 0.76 SPHK1 (0.41) ALDH1A1CYP3A4
SCHEMBL152342 0.76 SPHK1 (0.41) ALDH1A1CYP3A4
SCHEMBL153537 0.76 SPHK1 (0.41) ALDH1A1CYP3A4
SCHEMBL649223 0.76 SPHK1 (0.41) ALDH1A1CYP3A4
SCHEMBL5898950 0.76 SPHK1 (0.41) ALDH1A1CYP3A4
SCHEMBL1978763 0.70 CYP19A1 (0.31)
SCHEMBL28268203 0.67
SCHEMBL9788868 0.67 CYP19A1 (0.31)

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-2553713-A1 NANOIMPRINTING METHOD AND METHOD FOR PRODUCING A MOLD FUJIFILM Corporation (JP) 2013-02-06 EP disclosed
WO-2011122704-A1 NANOIMPRINTING METHOD AND METHOD FOR PRODUCING A MOLD FUJIFILM CORPORATION (JP) 2011-10-06 WO disclosed