SCHEMBL9568057

SCHEMBL9568057

O=C(CCC1=CCCc2ccccc21)NC(c1ccccc1)c1cc[nH]c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SIGMAR1 Q99720 1/20 0.38
MAPT P10636 2/20 0.35
SLC6A9 P48067 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTGIR P43119 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL9568093 0.90 ALDH1A1 (0.45) ALDH1A1SIGMAR1SLC6A9SLC6A5TSHR
SCHEMBL9049336 0.85 PTGIR (0.39) ALDH1A1MAPTSLC6A9SLC6A5TSHR
SCHEMBL8858542 0.82 PTGIR (0.58) SIGMAR1MAPTTSHRTDP1PTGIR
SCHEMBL9567974 0.78 ALDH1A1 (0.34) ALDH1A1SIGMAR1SLC6A9SLC6A5TSHR
SCHEMBL9049399 0.74 KMT2A (0.41) ALDH1A1MAPTSLC6A9SLC6A5TSHR
SCHEMBL7825602 0.72 SIGMAR1 (0.49) ALDH1A1SIGMAR1TSHRRAB9A
SCHEMBL8858403 0.71 PTGIR (0.61) SIGMAR1MAPTSLC6A9SLC6A5TSHR
SCHEMBL9049403 0.71 PTGIR (0.45) ALDH1A1SIGMAR1SLC6A9SLC6A5TSHR
SCHEMBL20825056 0.68 SIGMAR1 (0.45) ALDH1A1SIGMAR1RAB9AHPGD
SCHEMBL28294223 0.68 SIGMAR1 (0.45) ALDH1A1SIGMAR1RAB9A

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