SCHEMBL9568022

SCHEMBL9568022

NC(=O)C(CC1CCCc2ccccc21)C(c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TRPM8 Q7Z2W7 2/20 0.41
HTR6 P50406 2/20 0.38
PDPK1 O15530 1/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
EPHX1 P07099 1/20 0.38
MAPT P10636 4/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
FFAR1 O14842 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL9050656 0.84 KDM4E (0.40) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL9050659 0.82 PTGIR (0.40) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL9568024 0.80 KDM4C (0.48) ALDH1A1MEN1KMT2ATRPM8HTR6
SCHEMBL9568025 0.78 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1KMT2APDPK1
SCHEMBL9567976 0.75 TRPM8 (0.47) KMT2ATRPM8HTR6PDPK1HTT
SCHEMBL9568075 0.72 TRPM8 (0.48) ALDH1A1TRPM8HTR6PDPK1HTT
SCHEMBL9568032 0.71 TRPM8 (0.47) TRPM8HTR6PDPK1PARP1PARP2
SCHEMBL5444606 0.69 TRPM8 (0.45) ALDH1A1TRPM8HTR6PDPK1HTT
SCHEMBL1725811 0.67 BLM (0.50) ALDH1A1HTTPARP1PARP2
SCHEMBL30572310 0.67 BLM (0.50) ALDH1A1HTTPARP1PARP2

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-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP claimed
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP disclosed