SCHEMBL7986752

SCHEMBL7986752

N#Cc1ccc(OCCOc2ccc(C#N)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.66
MAPT P10636 1/20 0.66
MMP2 P08253 5/20 0.58
MAOB P27338 1/20 0.57
HRH3 Q9Y5N1 6/20 0.56
MMP3 P08254 5/20 0.53
HRH2 P25021 3/20 0.53
HRH1 P35367 3/20 0.53
MMP1 P03956 1/20 0.53
MMP9 P14780 1/20 0.53
MMP13 P45452 1/20 0.53
TBXAS1 P24557 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL8673505 0.93 SMN1; SMN2 (0.61) ALDH1A1MAPTMMP2MAOBHRH3
SCHEMBL5519875 0.92 HRH3 (0.62) ALDH1A1MAPTMMP2MAOBHRH3
SCHEMBL7384498 0.92 HRH3 (0.59) ALDH1A1MAPTMMP2MAOBHRH3
SCHEMBL5297574 0.91 MAOB (0.66) ALDH1A1MAPTMMP2MAOBHRH3
SCHEMBL7983991 0.90 HRH3 (0.66) ALDH1A1MAPTMMP2MAOBHRH3
SCHEMBL7387284 0.90 HRH3 (0.66) ALDH1A1MAPTMMP2MAOBHRH3
SCHEMBL12408526 0.90 HRH3 (0.66) ALDH1A1MAPTMMP2MAOBHRH3
SCHEMBL5526919 0.90 HRH3 (0.66) ALDH1A1MAPTMMP2MAOBHRH3
SCHEMBL15142600 0.89 ALDH1A1 (0.56) ALDH1A1MAPTMMP2MAOBHRH3
SCHEMBL4867346 0.89 MAPT (0.61) ALDH1A1MAPTMMP2MAOBHRH3

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-6221914-B1 ANTIINFLAMMATORY AGENTS ARRAY BIOPHARMA INC. 2001-04-24 US disclosed
US-3968213-A 4-HYDROXY-5-CARBOXY PYRIMIDINES PFIZER INC. (US) 1976-07-06 US disclosed
US-3957784-A ANTIALLERGY AGENTS PFIZER INC. (US) 1976-05-18 US disclosed