SCHEMBL3348787

SCHEMBL3348787

C=CCC(C)C(=O)OOC

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL12890924 0.83
SCHEMBL4188929 0.83
SCHEMBL12890928 0.83
Ammonia Solution, Strong SCHEMBL9446685 0.81 MEN1 (0.41) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL23200430 0.80 TSHR (0.40) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL16774771 0.78
SCHEMBL18465494 0.77 ALDH1A1 (0.39) TSHRALDH1A1LMNATDP1
SCHEMBL356446 0.77 ALDH1A1 (0.39) TSHRALDH1A1LMNATDP1
SCHEMBL11210595 0.77
SCHEMBL31693092 0.77 ALDH1A1 (0.39) TSHRALDH1A1LMNATDP1

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
WO-2010041194-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-15 WO disclosed
WO-2010042391-A2 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-04-15 WO disclosed