SCHEMBL27645995

SCHEMBL27645995

CC(=O)Oc1ccc(/C=C/C(=O)OC(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 3/20 0.55
LMNA P02545 3/20 0.55
KDM4E B2RXH2 2/20 0.55
TTR P02766 1/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HIF1A Q16665 1/20 0.53
EPAS1 Q99814 1/20 0.53
ESR1 P03372 1/20 0.49
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 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

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
SCHEMBL13845314 0.87 CA12 (0.53) KMT2AMAPTMEN1LMNATTR
SCHEMBL4055672 0.87 CA12 (0.53) KMT2AMAPTMEN1LMNATTR
SCHEMBL4055668 0.87 CA12 (0.53) KMT2AMAPTMEN1LMNATTR
SCHEMBL14672568 0.86 ESR1 (0.48) KMT2AMAPTMEN1LMNAKDM4E
SCHEMBL2561337 0.84 F3 (0.64) KMT2AMAPTMEN1LMNACYP3A4
SCHEMBL19244302 0.84 ESR1 (0.51) KMT2AMAPTMEN1LMNAESR1
SCHEMBL19244300 0.84 ESR1 (0.51) KMT2AMAPTMEN1LMNAESR1
SCHEMBL2561341 0.84 F3 (0.64) KMT2AMAPTMEN1LMNACYP3A4
SCHEMBL13845250 0.84 ELANE (0.53) KMT2AMAPTMEN1LMNAKDM4E
SCHEMBL13845249 0.84 ELANE (0.53) KMT2AMAPTMEN1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1764648-A Hydroxamic acid derivatives as inhibitors of Histone Deacetylase (HDAC) FUJISAWA PHARMACEUTICAL CO (JP) 2006-04-26 CN disclosed