SCHEMBL9251385

SCHEMBL9251385

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.49
MMP3 P08254 6/20 0.49
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
MMP13 P45452 2/20 0.43
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
ADAMTS4 O75173 1/20 0.39
PTGER4 P35408 1/20 0.39

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
SCHEMBL9260198 1.00 MMP2 (0.49) MMP2MMP3ALDH1A1MAPTMMP13
SCHEMBL9869613 0.87 MMP2 (0.49) MMP2MMP3ALDH1A1MMP13MMP1
SCHEMBL9871755 0.82 GAA (0.43) MMP2MMP3ALDH1A1MAPTHPGD
SCHEMBL9253874 0.81 ALDH1A1 (0.50) MMP2MMP3ALDH1A1MMP13MMP1
SCHEMBL9253804 0.81 MMP2 (0.45) MMP2MMP3ALDH1A1MAPTMMP13
SCHEMBL28924876 0.79 MMP2 (0.56) MMP2MMP3ALDH1A1MAPTMMP13
SCHEMBL9906551 0.79 MMP2 (0.45) MMP2MMP3ALDH1A1MMP13MMP1
SCHEMBL9250660 0.79 MMP2 (0.45) MMP2MMP3ALDH1A1MMP13MMP1
SCHEMBL13648996 0.79 MMP2 (0.45) MMP2MMP3ALDH1A1MMP13MMP1
SCHEMBL28037643 0.78 GAA (0.48) MMP2MMP3ALDH1A1MAPTGAA

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
US-5401436-A Liquid crystal ASAHI DENKA KOGKO KABUSHIKI KAISHA (JP) 1995-03-28 US disclosed
US-5200111-A Adjusts helical pitch of cholesteric liquid crystals ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1993-04-06 US disclosed