SCHEMBL9869613

SCHEMBL9869613

C[C@@H](C[C@H](C)Oc1ccc(-c2ccc(C#N)cc2)cc1)Oc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.49
MMP3 P08254 5/20 0.49
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
KIF11 P52732 1/20 0.43
HRH3 Q9Y5N1 6/20 0.42
HRH2 P25021 5/20 0.42
HRH1 P35367 5/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40

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
SCHEMBL9871755 0.94 GAA (0.43) MMP2MMP3ALDH1A1HPGDHRH3
SCHEMBL9253804 0.94 MMP2 (0.45) MMP2MMP3ALDH1A1HPGDKIF11
SCHEMBL9906551 0.90 MMP2 (0.45) MMP2MMP3ALDH1A1HPGDKIF11
SCHEMBL9250660 0.90 MMP2 (0.45) MMP2MMP3ALDH1A1HPGDKIF11
SCHEMBL9253874 0.90 ALDH1A1 (0.50) MMP2MMP3ALDH1A1HPGDHRH3
SCHEMBL13648996 0.90 MMP2 (0.45) MMP2MMP3ALDH1A1HPGDKIF11
SCHEMBL9435217 0.88 MMP2 (0.48) MMP2MMP3ALDH1A1HPGDKIF11
SCHEMBL16437755 0.88 MMP2 (0.48) MMP2MMP3ALDH1A1HPGDKIF11
SCHEMBL26383732 0.88 MMP2 (0.48) MMP2MMP3ALDH1A1HPGDKIF11
SCHEMBL9251385 0.87 MMP2 (0.49) MMP2MMP3ALDH1A1HPGDMMP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5043094-A Optically active bisaryl compound ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1991-08-27 US claimed
US-11796856-B1 Organic solid crystals having helical structures formed using cholesteric liquid crystals META PLATFORMS TECHNOLOGIES, LLC (US) 2023-10-24 US disclosed
US-5043094-A Optically active bisaryl compound ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1991-08-27 US disclosed