SCHEMBL28647654

SCHEMBL28647654

Nc1ccc(CC(O)(CC(O)C(=O)/C=C/c2ccc(OC(=O)c3ccc(OCCCCC(F)(F)F)cc3)cc2)C(=O)/C=C/c2ccc(OC(=O)c3ccc(OCCCCC(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.35
CYP1A1 P04798 2/20 0.35
CYP1B1 Q16678 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
PPARA Q07869 3/20 0.33
PPARG P37231 2/20 0.33
MAOB P27338 2/20 0.33
CTSK P43235 1/20 0.33
PRSS1 P07477 1/20 0.32
ACR P10323 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
SCHEMBL28664673 1.00 ABCG2 (0.35) ABCG2CYP1A1CYP1B1HDAC3HDAC4
SCHEMBL28663410 0.97 PPARA (0.36) ABCG2CYP1A1CYP1B1HDAC3HDAC4
SCHEMBL28647635 0.97 PPARA (0.36) ABCG2CYP1A1CYP1B1HDAC3HDAC4
SCHEMBL28664665 0.91 PPARA (0.35) ABCG2CYP1A1CYP1B1HDAC3HDAC4
SCHEMBL28650775 0.91 PPARA (0.35) ABCG2CYP1A1CYP1B1HDAC3HDAC4
SCHEMBL28658279 0.91 MAOB (0.35) ABCG2CYP1A1CYP1B1HDAC3HDAC4
SCHEMBL28662077 0.91 MAOB (0.35) ABCG2CYP1A1CYP1B1HDAC3HDAC4
SCHEMBL28648639 0.89 CA1 (0.41) LMNAMEN1KMT2A
SCHEMBL28658289 0.88 HDAC1 (0.38) HDAC1HDAC8MAOBPRSS1CYP2D6
SCHEMBL28657843 0.88 HDAC1 (0.38) HDAC1HDAC8MAOBPRSS1CYP2D6

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