SCHEMBL7326412

SCHEMBL7326412

COC(=O)CCc1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
PDE4B Q07343 9/20 0.56
PDE4A P27815 6/20 0.56
PDE4C Q08493 6/20 0.56
PDE4D Q08499 6/20 0.56
POLB P06746 1/20 0.54
RECQL P46063 1/20 0.52
EPHX1 P07099 1/20 0.51

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
SCHEMBL7328719 0.91 PDE4B (0.53) HDAC1HDAC2MEN1KMT2APDE4B
SCHEMBL7332247 0.90 PDE4B (0.52) HDAC1HDAC2MEN1KMT2APDE4B
SCHEMBL7335795 0.90 PDE4B (0.52) HDAC1HDAC2MEN1KMT2APDE4B
SCHEMBL7420231 0.89 HDAC1 (0.53) HDAC1HDAC2MEN1KMT2APDE4B
SCHEMBL7335293 0.88 PDE4A (0.58) HDAC1HDAC2MEN1KMT2APDE4B
SCHEMBL8157358 0.88 HDAC1 (0.56) HDAC1HDAC2MEN1KMT2APDE4B
SCHEMBL7324348 0.88 PDE4B (0.56) HDAC1HDAC2MEN1KMT2APDE4B
SCHEMBL7420826 0.87 PDE4A (0.57) HDAC1HDAC2MEN1KMT2APDE4B
SCHEMBL7332617 0.87 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL3684021 0.86 HDAC1 (0.52) HDAC1HDAC2MEN1KMT2APDE4B

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
US-5274002-A 1-Oxy- or -thio-2-cycloalkyloxy-4-carboxyalkylene benzene derivatives WARNER-LAMBERT COMPANY (US) 1993-12-28 US claimed
US-5274002-A 1-Oxy- or -thio-2-cycloalkyloxy-4-carboxyalkylene benzene derivatives WARNER-LAMBERT COMPANY (US) 1993-12-28 US disclosed
US-4971959-A Trisubstituted phenyl analogs having activity for congestive heart failure WARNER-LAMBERT COMPANY (US) 1990-11-20 US disclosed