SCHEMBL7784715

SCHEMBL7784715

COc1ccc(C=C(C(=O)OC(C)C)P(=O)(OC)OC)cc1OCc1ccc(COc2cc(C=C(C(=O)OC(C)C)P(=O)(OC)OC)ccc2OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC3 O15379 1/20 0.48
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
HDAC4 P56524 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48

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
SCHEMBL7784713 1.00 HDAC1 (0.48) HDAC1HDAC8HDAC6HDAC3TUBB4A
SCHEMBL8842915 0.85 SMPD1 (0.50) HDAC1HDAC8HDAC6HDAC3TUBB4A
SCHEMBL8842912 0.85 SMPD1 (0.50) HDAC1HDAC8HDAC6HDAC3TUBB4A
SCHEMBL7784709 0.85 TNFRSF1A (0.50) HDAC1HDAC8HDAC6HDAC3TUBB4A
SCHEMBL8842926 0.84 GAA (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7784710 0.84 GAA (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7790430 0.83 POLB (0.53) HDAC1HDAC8HDAC2MAPTSMN1; SMN2
SCHEMBL8842878 0.83 POLB (0.53) HDAC1HDAC8HDAC2MAPTSMN1; SMN2
SCHEMBL8842889 0.82 ALDH1A1 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7784722 0.82 ALDH1A1 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723969-B1 Phosphonocarboxylic acid derivatives and their use in treating degenerative articular ailments HOECHST AG (DE) 2001-11-14 EP disclosed
US-5627173-A Phosphonoacetic acid derivatives and their use for treating degenerative joint disorders HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-06 US disclosed
EP-0723969-A1 Phosphonocarboxylic acid derivatives and their use in treating degenerative articular ailments HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-31 EP disclosed