SCHEMBL8037703

SCHEMBL8037703

CC(C)(C)OC(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HSP90AA1 P07900 1/20 0.42
KCNH2 Q12809 1/20 0.42
LMNA P02545 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
HDAC8 Q9BY41 2/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CA2 P00918 1/20 0.36
SDCBP O00560 1/20 0.35
SDC2 P34741 1/20 0.35
MIF P14174 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL7868844 0.91 HSP90AA1 (0.48) ALDH1A1HSP90AA1KCNH2LMNAHPGD
SCHEMBL12470718 0.86 ALDH1A1 (0.60) ALDH1A1LMNAHDAC8RAB9ANPC1
SCHEMBL26246219 0.83 ALDH1A1 (0.46) ALDH1A1HSP90AA1KCNH2LMNACTDSP1
SCHEMBL7516437 0.82 ALDH1A1 (0.54) ALDH1A1LMNAHDAC8RAB9ANPC1
SCHEMBL4597724 0.81 ALDH1A1 (0.44) ALDH1A1HSP90AA1KCNH2KMT2AMEN1
SCHEMBL713145 0.81 HDAC1 (0.56) ALDH1A1LMNAHDAC8RAB9ANPC1
SCHEMBL7016547 0.77 HSP90AA1 (0.50) ALDH1A1HSP90AA1KCNH2LMNAHPGD
SCHEMBL7862203 0.77 PKM (0.44) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL20545015 0.77 HDAC1 (0.49) ALDH1A1HSP90AA1KCNH2LMNACTDSP1
SCHEMBL7874072 0.76 MTNR1A (0.52) ALDH1A1LMNAHPGDRAB9ANPC1

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
US-6075120-A A HETERODIMERIC PEPTIDE MODULATOR; FOR THE TREATMENT OF ASTHMA; FOR THE TREATMENT OF PAIN; ANTIINFLAMMATORY AGENTS CORTECH, INC. (US) 2000-06-13 US disclosed
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