SCHEMBL29266641

SCHEMBL29266641

N#Cc1ccc(-c2ccc(OCCCCCCCCCCCOC(=O)c3cc(O)ccc3O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
POLB P06746 1/20 0.51
MMP3 P08254 6/20 0.50
MMP2 P08253 6/20 0.49
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
HRH2 P25021 2/20 0.43
HRH1 P35367 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
SERPINE1 P05121 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL29290457 1.00 HDAC1 (0.52) HDAC1HDAC2POLBMMP3MMP2
SCHEMBL29266656 1.00 HDAC1 (0.52) HDAC1HDAC2POLBMMP3MMP2
SCHEMBL29266684 1.00 HDAC1 (0.52) HDAC1HDAC2POLBMMP3MMP2
SCHEMBL6723887 0.96 POLB (0.54) HDAC1HDAC2POLBMMP3MMP2
SCHEMBL29290461 0.89 POLB (0.49) HDAC1HDAC2POLBMMP3CA12
SCHEMBL29290464 0.87 POLB (0.54) HDAC1HDAC2POLBCA12CA1
SCHEMBL29290466 0.86 CA12 (0.55) POLBCA12CA1CA2CA7
SCHEMBL1874571 0.83 HDAC1 (0.56) HDAC1HDAC2MMP3MMP2MMP1
SCHEMBL31090109 0.81 POLB (0.55) HDAC1HDAC2POLBMMP2MMP1
SCHEMBL4335068 0.80 EGFR (0.48) POLBCA12CA1CA2CA7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4444822-A1 LIQUID CRYSTAL COMPOUNDS Rolic Technologies AG (CH) 2024-10-16 EP disclosed
EP-3953434-B1 LIQUID CRYSTAL COMPOUNDS ROLIC TECH AG (CH) 2024-09-04 EP disclosed
CN-118318024-A Liquid crystal compound 罗利克技术有限公司 2024-07-09 CN disclosed
WO-2023104545-A1 LIQUID CRYSTAL COMPOUNDS Rolic Technologies AG (CH) 2023-06-15 WO disclosed
EP-3953434-A1 LIQUID CRYSTAL COMPOUNDS Rolic Technologies AG (CH) 2022-02-16 EP disclosed