SCHEMBL8077181

SCHEMBL8077181

C=CC(=O)OCCCCCCCCCCOc1ccc(-c2ccc(COc3ccc(C#N)cc3OCc3ccc(-c4ccc(OCCCCCCCCCCOC(=O)C=C)cc4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
MMP3 P08254 5/20 0.42
MMP2 P08253 5/20 0.41
PTGER1 P34995 3/20 0.41
THRB P10828 1/20 0.40
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
RAB9A P51151 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
MAPT P10636 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
SCHEMBL8075509 1.00 HDAC1 (0.44) HDAC1HDAC2MMP3MMP2PTGER1
SCHEMBL8082122 1.00 HDAC1 (0.44) HDAC1HDAC2MMP3MMP2PTGER1
SCHEMBL8082015 1.00 HDAC1 (0.44) HDAC1HDAC2MMP3MMP2PTGER1
SCHEMBL8067477 1.00 HDAC1 (0.44) HDAC1HDAC2MMP3MMP2PTGER1
SCHEMBL8076445 1.00 HDAC1 (0.44) HDAC1HDAC2MMP3MMP2PTGER1
SCHEMBL8067411 1.00 HDAC1 (0.44) HDAC1HDAC2MMP3MMP2PTGER1
SCHEMBL8082135 1.00 HDAC1 (0.44) HDAC1HDAC2MMP3MMP2PTGER1
SCHEMBL8080509 0.99 MMP3 (0.43) HDAC1HDAC2MMP3MMP2PTGER1
SCHEMBL8081949 0.97 MMP2 (0.42) HDAC1HDAC2MMP3MMP2PTGER1
SCHEMBL8080446 0.91 KDM4E (0.45) HDAC1HDAC2MMP3MMP2PTGER1

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