SCHEMBL7283291

SCHEMBL7283291

[CH2]CCCc1ccc(OC(=O)C(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.54
THRB P10828 3/20 0.49
PTGS2 P35354 1/20 0.47
THRA P10827 1/20 0.43
ALOX15 P16050 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42
ALOX5 P09917 1/20 0.40
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PPARA Q07869 1/20 0.39
CALM1 P0DP23 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL11194767 0.95 ELANE (0.50) ELANETHRBPTGS2THRAALOX15
SCHEMBL5537021 0.84 THRB (0.53) ELANETHRBPTGS2THRAALOX5
SCHEMBL10664870 0.84 THRB (0.62) ELANETHRBPTGS2THRAADRA2A
SCHEMBL28707103 0.83 PTGS2 (0.64) ELANETHRBPTGS2ALOX15ADRB2
SCHEMBL5543225 0.81 THRB (0.54) ELANETHRBPTGS2THRAALDH1A1
SCHEMBL11197886 0.80 THRB (0.48) ELANETHRBPTGS2THRAALOX15
SCHEMBL11197892 0.80 ELANE (0.47) ELANETHRBPTGS2THRAALOX15
SCHEMBL5540186 0.80 THRB (0.53) ELANETHRBPTGS2THRA
SCHEMBL21795326 0.80 ELANE (0.79) ELANEPTGS2ALOX15HTR1DHTR1B
SCHEMBL19925263 0.79 ELANE (0.61) ELANETHRBPTGS2ALOX15ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691341-A ANTILEUKEMIA AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
US-5464833-A Anticarcinogenic agents, antiretrovirus agents or autoimmune diseases OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-11-07 US disclosed
EP-0623598-A1 APOPTOSIS REGULATOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-11-09 EP disclosed
US-4760064-A Cardiotonic agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-07-26 US disclosed
EP-0187322-A1 Carbostyril compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-07-16 EP disclosed