SCHEMBL8746470

SCHEMBL8746470

O=C(O)Oc1cccc(-c2ccc(OC(=O)O)c(OC(=O)O)c2OC(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.39
GAPDH P04406 1/20 0.39
MAOB P27338 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36

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
SCHEMBL3944512 0.78 RXRA (0.51) RXRARXRBEPHX1FABP7FABP3
SCHEMBL3679424 0.75 ADORA3 (0.43) GAPDHADORA3ADORA2A
SCHEMBL4260925 0.75 EPHX1 (0.55) RXRARXRBEPHX1FABP7FABP3
SCHEMBL4661329 0.74 FOLH1 (0.48) EPHX1
SCHEMBL1039198 0.74 MAPK1 (0.36) KMT2A
SCHEMBL4662631 0.73 FOLH1 (0.49) BACE1GAPDHMAOB
SCHEMBL686623 0.73 MEN1 (0.50) RXRARXRBEPHX1FABP7FABP3
SCHEMBL16585654 0.72 BACE1 (0.47) BACE1EPHX1MEN1KMT2A
SCHEMBL1040127 0.72 KMT2A (0.62) MEN1KMT2AAKR1C3
SCHEMBL4436159 0.72 LMNA (0.58) RXRARXRBEPHX1FABP7FABP3

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-0540829-B1 Novel liquid crystal alignment treating agent NISSAN CHEMICAL IND LTD (JP) 1997-02-26 EP claimed
EP-0527439-B1 Alignment treating agent for liquid crystal cell NISSAN CHEMICAL IND LTD (JP) 1996-05-29 EP claimed