SCHEMBL9253874

SCHEMBL9253874

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
MMP2 P08253 8/20 0.48
MMP3 P08254 7/20 0.48
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
KDM4E B2RXH2 3/20 0.41
HRH3 Q9Y5N1 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 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
SCHEMBL9869613 0.90 MMP2 (0.49) ALDH1A1HPGDMMP2MMP3MMP1
SCHEMBL9871755 0.85 GAA (0.43) ALDH1A1HPGDMMP2MMP3HRH3
SCHEMBL13648996 0.84 MMP2 (0.45) ALDH1A1HPGDMMP2MMP3MMP1
SCHEMBL9253804 0.84 MMP2 (0.45) ALDH1A1HPGDMMP2MMP3MMP1
SCHEMBL9906551 0.84 MMP2 (0.45) ALDH1A1HPGDMMP2MMP3MMP1
SCHEMBL9250660 0.84 MMP2 (0.45) ALDH1A1HPGDMMP2MMP3MMP1
SCHEMBL16437755 0.82 MMP2 (0.48) ALDH1A1HPGDMMP2MMP3MMP1
SCHEMBL26383732 0.82 MMP2 (0.48) ALDH1A1HPGDMMP2MMP3MMP1
SCHEMBL9435217 0.82 MMP2 (0.48) ALDH1A1HPGDMMP2MMP3MMP1
SCHEMBL9251385 0.81 MMP2 (0.49) ALDH1A1HPGDMMP2MMP3MMP1

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