SCHEMBL9567974

SCHEMBL9567974

O=C(CCC1=CCCc2ccccc21)NC(C1=CNC=CC=C1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
SIGMAR1 Q99720 1/20 0.33
MAPK14 Q16539 1/20 0.31
SLC6A9 P48067 1/20 0.31
SLC6A5 Q9Y345 1/20 0.31
RAB9A P51151 1/20 0.31
ITGB3 P05106 2/20 0.30
ITGA2B P08514 2/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL9051425 0.86 PTGIR (0.33) SLC6A9SLC6A5
SCHEMBL9568093 0.84 ALDH1A1 (0.45) ALDH1A1SIGMAR1SLC6A9SLC6A5RAB9A
SCHEMBL8858459 0.83 PTGIR (0.50) SIGMAR1
SCHEMBL9568057 0.78 ALDH1A1 (0.39) ALDH1A1SIGMAR1SLC6A9SLC6A5RAB9A
SCHEMBL7825602 0.68 SIGMAR1 (0.49) ALDH1A1SIGMAR1RAB9ATSHR
SCHEMBL9049399 0.68 KMT2A (0.41) ALDH1A1SLC6A9SLC6A5RAB9ATSHR
SCHEMBL9049403 0.65 PTGIR (0.45) ALDH1A1SIGMAR1SLC6A9SLC6A5RAB9A
SCHEMBL8858403 0.65 PTGIR (0.61) SIGMAR1SLC6A9SLC6A5TSHR
SCHEMBL20825056 0.65 SIGMAR1 (0.45) ALDH1A1SIGMAR1RAB9A
SCHEMBL28294223 0.65 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