SCHEMBL6576876

SCHEMBL6576876

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
POLB P06746 1/20 0.56
ACACB O00763 2/20 0.49
LDHA P00338 1/20 0.49
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PPARG P37231 11/20 0.48
PPARA Q07869 10/20 0.48
PARP10 Q53GL7 1/20 0.46

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
SCHEMBL7429475 0.86 POLB (0.49) KMT2APOLBACACBLDHAKDM4E
SCHEMBL5317079 0.85 LDHA (0.69) KMT2APOLBACACBLDHANPC1
SCHEMBL24884682 0.83 POLB (0.59) KMT2APOLBACACBLDHAKDM4E
SCHEMBL2803084 0.80 POLB (0.60) KMT2APOLBACACBLDHAKDM4E
SCHEMBL19759402 0.80 POLB (0.60) KMT2APOLBACACBLDHAKDM4E
SCHEMBL15592509 0.80 LDHA (0.45) LDHAPPARGPPARA
SCHEMBL12864780 0.79 KMT2A (0.55) KMT2AACACBLDHAPPARGPPARA
SCHEMBL6576832 0.79 SLC7A5 (0.56)
SCHEMBL15222219 0.79 KMT2A (0.55) KMT2AACACBLDHAPPARGPPARA
SCHEMBL5325396 0.78 PPARA (0.62) PPARGPPARA

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-1313559-A4 RECYCLABLE METATHESIS CATALYSTS TRUSTEES BOSTON COLLEGE (US) 2004-02-04 EP disclosed
EP-1313559-A2 RECYCLABLE METATHESIS CATALYSTS Trustees of Boston College (US) 2003-05-28 EP disclosed
WO-2002014376-A2 RECYCLABLE METATHESIS CATALYSTS TRUSTEES OF BOSTON COLLEGE (US) 2002-02-21 WO disclosed