SCHEMBL8494644

SCHEMBL8494644

CC(C)(Cc1ccc(C(C)(C)C)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 2/20 0.50
EPHX2 P34913 5/20 0.47
NR1H4 Q96RI1 4/20 0.47
ESRRG P62508 2/20 0.46
NR4A2 P43354 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
PTGES2 Q9H7Z7 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BLM P54132 1/20 0.46
SRD5A2 P31213 1/20 0.46
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 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
SCHEMBL15658852 0.85 PPARA (0.55) NR4A2BLMSRD5A2LMNA
SCHEMBL2442200 0.84 EPHX2 (0.47) SLC13A5EPHX2NR1H4ESRRGNR4A2
SCHEMBL27925093 0.83 ESR1 (0.56) PTGES2SMN1; SMN2BLMLMNA
SCHEMBL27832630 0.82 EPHX2 (0.45) SLC13A5EPHX2NR1H4ESRRGNR4A2
SCHEMBL23582734 0.82 MAPT (0.56) SLC13A5EPHX2PTGES2SMN1; SMN2BLM
SCHEMBL11596247 0.82 BLM (0.67) BLMCA2
SCHEMBL6668736 0.82 BLM (0.52) EPHX2ESRRGSMN1; SMN2BLMLMNA
SCHEMBL4457891 0.82 BLM (0.47) PTGES2SMN1; SMN2BLMSRD5A2RAB9A
SCHEMBL517462 0.81 SMN1; SMN2 (0.57) SMN1; SMN2BLMLMNA
SCHEMBL5394972 0.80 PPARG (0.49) PTGES2BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5863899-A ANALGESICS AND ANTIINFLAMMATORY AGENT; A MORPHINE OR DERIVATIVE IS ATTACHED TO BRANDYKININ ANTAGONIST PEPTIDE BY MALEIMIDO OR AMINO ACID ANALOG LINKER CORTECH, INC. (US) 1999-01-26 US disclosed