SCHEMBL9568025

SCHEMBL9568025

O=C(CCC1CCCc2ccccc21)NC(c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 4/20 0.52
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
PDPK1 O15530 1/20 0.39
GAA P10253 2/20 0.39
UGCG Q16739 1/20 0.39
RECQL P46063 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 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
SCHEMBL9567963 0.90 ALDH1A1 (0.44) ALDH1A1KMT2AHTTLMNAPDPK1
SCHEMBL9568000 0.83 ALDH1A1 (0.43) ALDH1A1LMNAPDPK1
SCHEMBL9050286 0.82 PTGIR (0.61) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9568029 0.81 TAOK1 (0.49) ALDH1A1MEN1KMT2APOLB
SCHEMBL9568039 0.79 UGCG (0.52) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL9568022 0.78 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9568077 0.77 TRPV1 (0.46) ALDH1A1HTTPDPK1
SCHEMBL9567979 0.76 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTPDPK1
SCHEMBL9568047 0.74 TRPV1 (0.44) ALDH1A1PDPK1UGCG
SCHEMBL9568037 0.74 CNR1 (0.46) ALDH1A1HTTPDPK1CNR1CNR2

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