SCHEMBL8416828

SCHEMBL8416828

O=C(O)COc1cccc2c(C=CC(=O)NC(c3ccccc3)c3ccccc3)cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.45
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PTGIR P43119 6/20 0.40
TBXA2R P21731 5/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX12 P18054 1/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL8420341 0.80 ALDH1A1 (0.57) ALDH1A1HPGDKDM4ETDP1LMNA
SCHEMBL8207302 0.77 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ETDP1PTGDR2
SCHEMBL8420212 0.75 ALDH1A1 (0.51) ALDH1A1HPGDKDM4ETDP1LMNA
SCHEMBL693383 0.74 TDP1 (0.49) ALDH1A1HPGDKDM4ETDP1PTGIR
Naphthyloxyacetic Acid SCHEMBL6820182 0.68 KDM4E (0.96) ALDH1A1HPGDKDM4ETDP1PTGDR2
SCHEMBL18065062 0.68 TDP1 (0.71) ALDH1A1TDP1LMNAHTTNPSR1
SCHEMBL28692953 0.68 TDP1 (0.71) ALDH1A1TDP1LMNAHTTNPSR1
SCHEMBL7294511 0.68 PTGDR2 (0.61) ALDH1A1HPGDKDM4EPTGDR2LMNA
SCHEMBL2649228 0.68 PTGDR2 (0.66) ALDH1A1HPGDKDM4ETDP1PTGDR2
SCHEMBL8202557 0.68 SLC6A9 (0.48) ALDH1A1HPGDKDM4ETDP1PTGDR2

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-0719760-B1 Naphthalene derivatives and their use as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO (JP) 1999-09-22 EP claimed
EP-0719760-A1 Naphthyloxyacetic acid derivatives and their use as PGW2 agonists and antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP claimed