SCHEMBL8081949

SCHEMBL8081949

C=CC(=O)OCCCOc1ccc(-c2ccc(COc3ccc(C#N)cc3OCc3ccc(-c4ccc(OCCCOC(=O)C=C)cc4)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.42
MMP3 P08254 6/20 0.41
THRB P10828 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
PTGER1 P34995 3/20 0.39
RAB9A P51151 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL8080509 0.98 MMP3 (0.43) MMP2MMP3THRBHDAC1HDAC2
SCHEMBL8067411 0.97 HDAC1 (0.44) MMP2MMP3THRBHDAC1HDAC2
SCHEMBL8082015 0.97 HDAC1 (0.44) MMP2MMP3THRBHDAC1HDAC2
SCHEMBL8075509 0.97 HDAC1 (0.44) MMP2MMP3THRBHDAC1HDAC2
SCHEMBL8067477 0.97 HDAC1 (0.44) MMP2MMP3THRBHDAC1HDAC2
SCHEMBL8076445 0.97 HDAC1 (0.44) MMP2MMP3THRBHDAC1HDAC2
SCHEMBL8082135 0.97 HDAC1 (0.44) MMP2MMP3THRBHDAC1HDAC2
SCHEMBL8082122 0.97 HDAC1 (0.44) MMP2MMP3THRBHDAC1HDAC2
SCHEMBL8077181 0.97 HDAC1 (0.44) MMP2MMP3THRBHDAC1HDAC2
SCHEMBL8082020 0.90 XDH (0.41) THRBPTGER1

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
EP-0755918-B1 Photocrosslinkable liquid crystalline 1,2-phenylene derivatives ROLIC AG (CH) 2000-09-06 EP disclosed
EP-0755918-A2 Photocrosslinkable liquid crystalline 1,2-phenylene derivatives Rolic AG (CH) 1997-01-29 EP disclosed