SCHEMBL11706141

SCHEMBL11706141

C=C(C)C(=O)OC.C=C(CCC)C(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
TSHR P16473 6/20 0.41
THRB P10828 1/20 0.38
HDAC3 O15379 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CTSD P07339 1/20 0.32
FFAR3 O14843 3/20 0.32
MGAM O43451 2/20 0.30
GAA P10253 2/20 0.30
SI P14410 2/20 0.30
MGAM2 Q2M2H8 2/20 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
SCHEMBL1298570 0.91
Ammonia Solution, Strong SCHEMBL27414294 0.89 ALDH1A1 (0.44) ALDH1A1TSHRHDAC3HDAC1HDAC2
Butane SCHEMBL7941631 0.89 ALDH1A1 (0.79) ALDH1A1TSHRTHRBMGAMGAA
SCHEMBL8068615 0.88 ALDH1A1 (0.58) ALDH1A1TSHRTHRBHDAC3HDAC1
SCHEMBL28073922 0.88 ALDH1A1 (0.46) ALDH1A1TSHRTHRBHDAC3HDAC1
SCHEMBL28145140 0.86 ALDH1A1 (0.56) ALDH1A1TSHRTHRBHDAC3HDAC1
SCHEMBL28066964 0.86 ALDH1A1 (0.45) ALDH1A1TSHRTHRB
Ethylene Glycol SCHEMBL27896041 0.85 ALDH1A1 (0.41) ALDH1A1TSHRHDAC3HDAC1HDAC2
SCHEMBL28254854 0.85 ALDH1A1 (0.41) ALDH1A1TSHRHDAC3HDAC1HDAC2
SCHEMBL27725371 0.85 ALDH1A1 (0.54) ALDH1A1TSHRCES2CES1

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-4016112-A Process for production of foamed resin structure TEIJIN LIMITED (JA) 1977-04-05 US claimed