SCHEMBL5570561

SCHEMBL5570561

C=C(C)COC(OC(=O)c1ccccc1C(=O)OC(OCC(=C)C)C(C)O)C(C)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.35
CYP3A4 P08684 2/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GPR174 Q9BXC1 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
USP2 O75604 1/20 0.33
PTGS2 P35354 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
SCHEMBL10617975 0.84 TSHR (0.41) TSHRALDH1A1NPC1CYP3A4KMT2A
SCHEMBL36714 0.83 TSHR (0.45) TSHRALDH1A1NPC1CYP3A4KMT2A
SCHEMBL2464293 0.79 ALDH1A1 (0.40) TSHRALDH1A1NPC1CYP3A4HPGD
SCHEMBL11618455 0.78 TSHR (0.42) TSHRALDH1A1NPC1CYP3A4HPGD
SCHEMBL4975777 0.74 LMNA (0.31)
SCHEMBL10731368 0.74 PTPN2 (0.38) TSHRALDH1A1NPC1HPGDKMT2A
SCHEMBL6900189 0.74 ALDH1A1 (0.45) TSHRALDH1A1CYP3A4HPGDTDP1
SCHEMBL10940650 0.73 ALDH1A1 (0.49) TSHRALDH1A1NPC1CYP3A4KMT2A
SCHEMBL21603039 0.73 TSHR (0.40) TSHRALDH1A1NPC1CYP3A4KMT2A
SCHEMBL2992727 0.72 TSHR (0.59) TSHRALDH1A1NPC1CYP3A4KMT2A

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-1092421-B1 Method for preparing ultraviolet radiation absorbing compositions ROHM & HAAS (US) 2007-03-21 EP disclosed