SCHEMBL4576202

SCHEMBL4576202

COc1ccc(Cn2cccc2CC(C)CO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.42
PTGER3 P43115 1/20 0.42
RECQL P46063 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL8283102 0.76 SLC6A4 (0.60) POLBTSHRCYP1A2CYP2D6CYP2C19
SCHEMBL7976221 0.76 SLC6A4 (0.60) POLBTSHRCYP1A2CYP2D6CYP2C19
SCHEMBL3314264 0.72 CYP1A2 (0.47) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL31590889 0.71 HDAC8 (0.51) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL18664479 0.71 HDAC8 (0.51) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL12301203 0.71 MAPT (0.58) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL28404311 0.71 MAPT (0.52) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL6129140 0.69 MAPT (0.44) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL3318333 0.69 SLC6A4 (0.45) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL1609235 0.68 ALDH1A1 (0.60) MAPTKDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399778-B2 Heterocyclic sulfonamide inhibitors of beta amyloid production containing an azole WYETH (US) 2008-07-15 US disclosed