SCHEMBL9479019

SCHEMBL9479019

COC(=O)c1ccc(Cn2ccc3ccc(NC(=O)OC4CCCC4)cc32)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
POLB P06746 1/20 0.41
EPHX2 P34913 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL9479119 0.91 POLB (0.52) RAB9ACYP3A4POLBEPHX2NR1H4
SCHEMBL9480828 0.83 CYSLTR1 (0.52) TDP1NPSR1CYP2C9POLBEPHX2
SCHEMBL9479292 0.79 EPHX2 (0.56) KDM4ELMNATDP1ALDH1A1NPSR1
SCHEMBL9480375 0.78 KCNQ3 (0.53) KDM4ELMNARAB9AALDH1A1NPSR1
SCHEMBL9479510 0.76 ALDH1A1 (0.51) KDM4ELMNARAB9ATDP1ALDH1A1
SCHEMBL9478986 0.75 EPHX2 (0.66) EPHX2NR1H4CYSLTR2CYSLTR1
SCHEMBL10367852 0.73 EPHX2 (0.66) EPHX2NR1H4CYSLTR2CYSLTR1
SCHEMBL9187597 0.73 EPHX2 (0.48) KDM4ELMNAALDH1A1NPSR1CYP3A4
SCHEMBL9479619 0.70 CYSLTR2 (0.46) EPHX2NR1H4CYSLTR2CYSLTR1CNR1
SCHEMBL8951110 0.68 CHRNA7 (0.52) KDM4ELMNARAB9ATDP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5234942-A Treating allergic pulmonary disorders, asthma ICI AMERICAS INC. (US) 1993-08-10 US disclosed
US-4997844-A Compounds for the treatment of allergic or inflammatory diseases or shock conditions ICI AMERICAS INC. (US) 1991-03-05 US disclosed
EP-0179619-B1 HETEROCYCLIC AMIDES ICI AMERICAS INC. (US) 1990-09-05 EP disclosed