SCHEMBL8807366

SCHEMBL8807366

COC(=O)c1ccc(C(C)NO)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.53
MEN1 O00255 2/20 0.53
CYP1A2 P05177 2/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 3/20 0.51
ALDH1A1 P00352 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2D6 P10635 1/20 0.47
POLB P06746 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL10983663 0.83 MEN1 (0.58) CYP2C19MEN1CYP1A2KMT2AHTT
SCHEMBL2303474 0.83 MEN1 (0.58) CYP2C19MEN1CYP1A2KMT2AHTT
SCHEMBL18547701 0.81 KMT2A (0.56) CYP2C19MEN1CYP1A2KMT2AHTT
SCHEMBL69791 0.78 HTT (0.69) CYP2C19MEN1CYP1A2KMT2AHTT
SCHEMBL28655251 0.78 CYP2C19 (0.56) CYP2C19MEN1CYP1A2KMT2AHTT
SCHEMBL6440734 0.78 MEN1 (0.56) CYP2C19MEN1CYP1A2KMT2AHTT
SCHEMBL17582660 0.78 MEN1 (0.56) CYP2C19MEN1CYP1A2KMT2AHTT
SCHEMBL24479152 0.77 ALDH1A1 (0.54) CYP2C19MEN1CYP1A2KMT2AHTT
SCHEMBL28582917 0.77 MEN1 (0.51) CYP2C19MEN1CYP1A2KMT2AHTT
SCHEMBL21592078 0.76 MEN1 (0.54) CYP2C19MEN1CYP1A2KMT2AHTT

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
EP-0320628-B1 Substituted furan compounds which are useful in inhibiting lipoxygenase enzymes, particularly 5-lipoxygenase ABBOTT LAB (US) 1997-01-15 EP disclosed
US-5112848-A Antiasthmatics and antiarthritic agents ABBOTT LABORATORIES (US) 1992-05-12 US disclosed
EP-0320628-A1 Substituted furan compounds which are useful in inhibiting lipoxygenase enzymes, particularly 5-lipoxygenase ABBOTT LABORATORIES (US) 1989-06-21 EP disclosed