SCHEMBL28650775

SCHEMBL28650775

Nc1ccc(CC(O)(CC(O)C(=O)/C=C/c2ccc(C(=O)Oc3ccc(OCCCC(F)(F)C(F)(F)F)cc3)cc2)C(=O)/C=C/c2ccc(C(=O)Oc3ccc(OCCCC(F)(F)C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
PPARG P37231 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAOB P27338 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32

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
SCHEMBL28664665 1.00 PPARA (0.35) PPARACYP1A1CYP1B1HDAC3HDAC4
SCHEMBL28663410 0.94 PPARA (0.36) PPARACYP1A1CYP1B1HDAC3HDAC4
SCHEMBL28647635 0.94 PPARA (0.36) PPARACYP1A1CYP1B1HDAC3HDAC4
SCHEMBL28664673 0.91 ABCG2 (0.35) PPARACYP1A1CYP1B1HDAC3HDAC4
SCHEMBL28647654 0.91 ABCG2 (0.35) PPARACYP1A1CYP1B1HDAC3HDAC4
SCHEMBL28657783 0.90 CA1 (0.41) KDM4EMAPT
SCHEMBL28649253 0.90 MAPT (0.37) PPARAKDM4EMAPTABCG2
SCHEMBL28658279 0.88 MAOB (0.35) PPARACYP1A1CYP1B1HDAC3HDAC4
SCHEMBL28662077 0.88 MAOB (0.35) PPARACYP1A1CYP1B1HDAC3HDAC4
SCHEMBL28658289 0.87 HDAC1 (0.38) HDAC1HDAC8MAOBKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104649916-B Photocrosslinkable materials 罗利克有限公司 2020-12-01 CN claimed
CN-107438653-B Photoalignment composition 罗利克有限公司 2022-01-07 CN disclosed
CN-113652167-A Photoalignment composition 罗利克有限公司 2021-11-16 CN disclosed
CN-104649916-B Photocrosslinkable materials 罗利克有限公司 2020-12-01 CN disclosed