SCHEMBL7429475

SCHEMBL7429475

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
ACACB O00763 2/20 0.44
NR1H4 Q96RI1 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LDHA P00338 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PPARG P37231 10/20 0.43
PPARA Q07869 9/20 0.43

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
SCHEMBL6576876 0.86 KMT2A (0.56) POLBKMT2AACACBKDM4ELDHA
SCHEMBL24884682 0.77 POLB (0.59) POLBKMT2AACACBKDM4ELDHA
SCHEMBL19759402 0.74 POLB (0.60) POLBKMT2AACACBKDM4ELDHA
SCHEMBL2803084 0.74 POLB (0.60) POLBKMT2AACACBKDM4ELDHA
SCHEMBL7698662 0.72 RIPK1 (0.42) KMT2APPARA
SCHEMBL21445775 0.72 POLB (0.54) POLBKMT2AACACBNR1H4KDM4E
SCHEMBL7698659 0.72 RIPK1 (0.42) KMT2APPARA
SCHEMBL7698664 0.72 RIPK1 (0.42) KMT2APPARA
SCHEMBL5317079 0.72 LDHA (0.69) POLBKMT2AACACBLDHANPC1
SCHEMBL22111634 0.72 POLB (0.53) POLBKMT2AACACBKDM4ELDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133484-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS AstraZeneca AB (SE) 2001-09-19 EP disclosed
WO-2000005223-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA AB (SE) 2000-02-03 WO disclosed