SCHEMBL2992950

SCHEMBL2992950

COC(=O)C(C)=C(C)CCC(N)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
SLC1A1 P43005 1/20 0.32
TSHR P16473 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
SCHEMBL2985187 0.80 ALDH1A1 (0.34) ALDH1A1
SCHEMBL135353 0.75 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL27657651 0.74 CA2 (0.41) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL27525859 0.74 KDM4E (0.38) ALDH1A1TSHR
SCHEMBL29232987 0.73 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL5861522 0.73 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL27821923 0.73 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL27970321 0.72 ALDH1A1 (0.34) ALDH1A1
SCHEMBL492501 0.72 CYP1A2 (0.41) ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL28895262 0.71 ALDH1A1 (0.37) ALDH1A1TSHR

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
US-20100170650-A1 Printability improving agents and papers coated with them NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2010-07-08 US disclosed
US-20080023163-A1 Printability Improving Agents And Papers Coated With Them NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2008-01-31 US disclosed