SCHEMBL27916624

SCHEMBL27916624

CCC(=O)c1cc(C)c(Oc2ccc(OC)cc2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.51
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
AR P10275 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
GSK3B P49841 1/20 0.44

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
SCHEMBL27898778 0.87 MTNR1B (0.52) PPARAALDH1A1LMNAARMTNR1A
SCHEMBL27916437 0.86 PPARA (0.50) PPARAKMT2AMEN1ALDH1A1LMNA
SCHEMBL7561681 0.83 KMT2A (0.47) KMT2ALMNAARHDAC3HDAC4
SCHEMBL9720532 0.81 ALDH1A1 (0.61) PPARAKMT2AMEN1ALDH1A1PPARG
SCHEMBL27898929 0.81 PPARA (0.50) PPARAKMT2AMEN1ALDH1A1LMNA
SCHEMBL11955348 0.80 KMT2A (0.64) KMT2AALDH1A1LMNARAB9AHDAC3
SCHEMBL28061523 0.78 ALDH1A1 (0.46) PPARAKMT2AMEN1ALDH1A1LMNA
SCHEMBL459470 0.77 KMT2A (0.70) KMT2AALDH1A1LMNARAB9AHDAC3
SCHEMBL28091696 0.77 RAPGEF4 (0.64) KMT2AMEN1ALDH1A1
SCHEMBL11527000 0.75 ESR1 (0.46) KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105906617-A Modulators of HEC1 activity and methods thereof 泰纬生命科技股份有限公司 2016-08-31 CN disclosed
CN-103038231-B Modulators of HEC1 activity and methods thereof Taivex Therapeutics Corp. (CN) 2016-04-20 CN disclosed
CN-104254534-A Modulators of HEC1 activity and methods thereof TAIVEX THERAPEUTICS CORP 2014-12-31 CN disclosed
CN-103038231-A Modulators of HEC1 activity and methods thereof TAIVEX THERAPEUTICS INC 2013-04-10 CN disclosed