SCHEMBL7429464

SCHEMBL7429464

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MME P08473 1/20 0.44
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
KMT2A Q03164 2/20 0.42
ACACB O00763 3/20 0.41
NR1H4 Q96RI1 1/20 0.41
CPA1 P15085 2/20 0.41
CPB1 P15086 1/20 0.41
CPA3 P15088 1/20 0.41
CPB2 Q96IY4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ABCB1 P08183 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MMP1 P03956 1/20 0.40
LDHA P00338 1/20 0.40

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
SCHEMBL7425659 0.93 KMT2A (0.42) POLBMMECA2CA9KMT2A
SCHEMBL7427960 0.87 POLB (0.43) POLBCA2CA9KMT2AACACB
SCHEMBL1914901 0.86 LDHA (0.56) POLBMMECA2CA9KMT2A
SCHEMBL1914904 0.86 LDHA (0.56) POLBMMECA2CA9KMT2A
SCHEMBL26754203 0.83 MME (0.48) MMECA2CA9KMT2ACPA1
SCHEMBL1915759 0.83 MME (0.48) MMECA2CA9KMT2ACPA1
SCHEMBL1704171 0.83 CPA1 (0.60) MMECA2CA9CPA1CPB1
SCHEMBL1915766 0.83 CPA1 (0.60) MMECA2CA9CPA1CPB1
SCHEMBL1704913 0.83 CPA1 (0.60) MMECA2CA9CPA1CPB1
SCHEMBL16232083 0.82 MME (0.64) POLBMMECA2CA9CPA1

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