SCHEMBL1754785

SCHEMBL1754785

C=C(C)C(=O)OCC(O)CNC(=O)NCC(O)COC(=O)C(=C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
ALDH1A1 P00352 4/20 0.39
THRB P10828 1/20 0.38
ADRB2 P07550 6/20 0.33
ADRB1 P08588 6/20 0.33
ADRB3 P13945 6/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 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
SCHEMBL685093 0.84 TSHR (0.55) TSHRALDH1A1THRBADRB2ADRB1
SCHEMBL28614099 0.83 TSHR (0.47) TSHRALDH1A1THRBADRB2ADRB1
SCHEMBL94906 0.82 TSHR (0.68) TSHRALDH1A1THRBUSP2CYP3A4
SCHEMBL24754925 0.82 TSHR (0.53) TSHRALDH1A1THRBADRB2ADRB1
Hydrochloric Acid SCHEMBL1345735 0.82 TSHR (0.53) TSHRALDH1A1THRBADRB2ADRB1
SCHEMBL11386675 0.81 TSHR (0.45) TSHRALDH1A1THRBADRB2ADRB1
SCHEMBL11386676 0.81 TSHR (0.45) TSHRALDH1A1THRBADRB2ADRB1
SCHEMBL11308312 0.81 TSHR (0.49) TSHRALDH1A1THRBADRB2ADRB1
SCHEMBL3412123 0.81 TSHR (0.61) TSHRALDH1A1THRBUSP2CYP3A4
SCHEMBL12621226 0.81 KDM4E (0.53) TSHRALDH1A1THRBADRB2ADRB1

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
EP-2441783-A1 Polymerizable composition and lithographic printing plate precursor including the same, and lithographic printing method FUJIFILM Corporation (JP) 2012-04-18 EP disclosed