SCHEMBL9568093

SCHEMBL9568093

O=C(CCC1=CCCc2ccccc21)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TSHR P16473 1/20 0.42
SLC6A9 P48067 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
DPP8 Q6V1X1 1/20 0.38
DPP7 Q9UHL4 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
SCHEMBL9568057 0.90 ALDH1A1 (0.39) ALDH1A1TSHRSLC6A9SLC6A5SIGMAR1
SCHEMBL9567974 0.84 ALDH1A1 (0.34) ALDH1A1TSHRSLC6A9SLC6A5SIGMAR1
SCHEMBL9049399 0.82 KMT2A (0.41) ALDH1A1TSHRSLC6A9SLC6A5KMT2A
SCHEMBL7825602 0.80 SIGMAR1 (0.49) ALDH1A1TSHRSIGMAR1RAB9A
SCHEMBL9049403 0.78 PTGIR (0.45) ALDH1A1TSHRSLC6A9SLC6A5SIGMAR1
SCHEMBL8858403 0.78 PTGIR (0.61) TSHRSLC6A9SLC6A5SIGMAR1KMT2A
SCHEMBL28294223 0.76 SIGMAR1 (0.45) ALDH1A1SIGMAR1RAB9A
SCHEMBL20825056 0.76 SIGMAR1 (0.45) ALDH1A1SIGMAR1HPGDRAB9A
SCHEMBL9049336 0.75 PTGIR (0.39) ALDH1A1TSHRSLC6A9SLC6A5KMT2A
SCHEMBL2674626 0.72 SIGMAR1 (0.43) ALDH1A1SIGMAR1HPGDRAB9A

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