SCHEMBL7784709

SCHEMBL7784709

COc1ccc(COc2c(OC)cc(C=C(C(=O)OC(C)C)P(=O)(OC)OC)cc2OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 3/20 0.50
GCGR P47871 11/20 0.42
HDAC3 O15379 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
HDAC4 P56524 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
HDAC1 Q13547 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL7784715 0.85 HDAC1 (0.48) HDAC3TUBB4ATUBBTUBA3CHDAC4
SCHEMBL7784713 0.85 HDAC1 (0.48) HDAC3TUBB4ATUBBTUBA3CHDAC4
SCHEMBL8842877 0.78 PTP4A3 (0.51) MCL1ALDH1A1KDM4EMAPTHTT
SCHEMBL7794250 0.78 PTP4A3 (0.51) MCL1ALDH1A1KDM4EMAPTHTT
SCHEMBL7793570 0.75 MAPT (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8842878 0.74 POLB (0.53) HDAC1HDAC2HDAC8MCL1APP
SCHEMBL7790430 0.74 POLB (0.53) HDAC1HDAC2HDAC8MCL1APP
SCHEMBL8842889 0.73 ALDH1A1 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7784722 0.73 ALDH1A1 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7784710 0.72 GAA (0.44) 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