SCHEMBL9051607

SCHEMBL9051607

O=C(CC1CCc2c(C(=O)C(=O)O)cccc21)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 7/20 0.42
GAA P10253 3/20 0.41
LMNA P02545 1/20 0.41
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.39
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.36
PRCP P42785 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CREBBP Q92793 1/20 0.35

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
SCHEMBL9050611 0.93 KMT2A (0.44) KMT2AL3MBTL1MEN1ALDH1A1GAA
SCHEMBL9048971 0.84 PTGIR (0.37) ALDH1A1LMNASLC6A4SLC6A3KDM4E
SCHEMBL9048207 0.83 PTGIR (0.46) KMT2AL3MBTL1MEN1ALDH1A1GAA
SCHEMBL9048344 0.81 PTGIR (0.45) KMT2AL3MBTL1MEN1ALDH1A1GAA
SCHEMBL9048134 0.80 PTGIR (0.45) KMT2AL3MBTL1MEN1ALDH1A1GAA
SCHEMBL9567998 0.79 PRMT5 (0.49) KMT2AL3MBTL1MEN1ALDH1A1GAA
SCHEMBL9051611 0.79 PTGIR (0.54)
SCHEMBL9051610 0.79 SLC6A4 (0.40) KMT2AL3MBTL1MEN1ALDH1A1GAA
SCHEMBL9047720 0.78 PTGIR (0.43)
SCHEMBL9049008 0.76 LMNA (0.48) KMT2AL3MBTL1MEN1ALDH1A1GAA

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-B1 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO (JP) 1996-07-03 EP claimed
US-5344836-A Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US claimed