SCHEMBL8528291

SCHEMBL8528291

CCOC(=O)CCC(C)CC[PH](=O)CSc1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PRNP P04156 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TNF P01375 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CNR1 P21554 2/20 0.36
CDC25B P30305 1/20 0.36
TOP2A P11388 2/20 0.35
TYMS P04818 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
MEN1 O00255 2/20 0.35

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
SCHEMBL8530427 0.82 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EHSD17B10PRNP
SCHEMBL8529950 0.82 PRNP (0.40) ALDH1A1PRNPRXFP1KMT2AMAPT
SCHEMBL8764852 0.80 PRNP (0.57) ALDH1A1HPGDKDM4EPRNPRXFP1
SCHEMBL8797019 0.78 LTC4S (0.39) ALDH1A1HPGDPRNPRXFP1TNF
SCHEMBL28702281 0.73 ALDH1A1 (0.63) ALDH1A1HPGDKDM4ETP53HTT
SCHEMBL7244423 0.71 ALDH1A1 (0.36) ALDH1A1HPGDKDM4ETP53HTT
SCHEMBL7050190 0.71 ALDH1A1 (0.35) ALDH1A1HPGDKDM4ETP53HTT
SCHEMBL8528852 0.70 L3MBTL1 (0.44) ALDH1A1HPGDKDM4EHSD17B10PRNP
SCHEMBL8528294 0.69 ALDH1A1 (0.37) ALDH1A1HPGDKDM4ETP53HTT
SCHEMBL7437234 0.69 ALDH1A1 (0.35) ALDH1A1HPGDKDM4ETP53HTT

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-5773428-A BONE DISORDERS SYNTEX (U.S.A.) INC. (US) 1998-06-30 US disclosed