SCHEMBL19787887

SCHEMBL19787887

C=CC(=O)OCC(COc1ccc(C)cc1)OC(=O)C=C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
THRB P10828 2/20 0.42
AR P10275 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
USP2 O75604 1/20 0.38
MAOB P27338 2/20 0.37
WDR5 P61964 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL13966764 0.92 AR (0.50) TSHRTHRBARMEN1KMT2A
SCHEMBL18116388 0.92 AR (0.54) TSHRTHRBARMEN1KMT2A
SCHEMBL13569466 0.89 KMT2A (0.36) TSHRTHRBARMEN1KMT2A
SCHEMBL21043404 0.89 TSHR (0.48) TSHRTHRBARKMT2AL3MBTL1
SCHEMBL14173315 0.89 THRB (0.44) TSHRTHRBARHPGDHTT
SCHEMBL14173294 0.89 THRB (0.44) TSHRTHRBARHPGDHTT
SCHEMBL13869325 0.89 THRB (0.44) TSHRTHRBARHPGDMAPT
SCHEMBL27745480 0.89 AR (0.40) TSHRTHRBARMEN1KMT2A
SCHEMBL18116390 0.89 AR (0.41) TSHRTHRBARMEN1KMT2A
SCHEMBL13569468 0.88 MAOB (0.42) TSHRTHRBARMEN1KMT2A

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-9874811-B2 Photopolymer composition for holographic recording SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-01-23 US disclosed
US-9874811-B2 Photopolymer composition for holographic recording SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-01-23 US disclosed