SCHEMBL8529950

SCHEMBL8529950

CCOC(=O)CCC(C)CC[PH](=O)CSc1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 2/20 0.40
GAA P10253 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 2/20 0.36
CNR2 P34972 2/20 0.36
ANPEP P15144 1/20 0.36
EPHX1 P07099 1/20 0.36
PLA2G2A P14555 2/20 0.35
PLA2G10 O15496 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 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 0.88 ALDH1A1 (0.39) PRNPRXFP1KMT2AMAPTALDH1A1
SCHEMBL8764852 0.82 PRNP (0.57) PRNPRXFP1KMT2AMEN1MAPT
SCHEMBL8528291 0.82 ALDH1A1 (0.39) PRNPRXFP1KMT2AMEN1MAPT
SCHEMBL9067733 0.74 CAPN1 (0.44) PRNPGAARXFP1KMT2AMEN1
SCHEMBL6345753 0.73 CNR2 (0.53) PRNPGAAKMT2AMEN1MAPT
SCHEMBL1269611 0.72 MEN1 (0.59) PRNPGAARXFP1KMT2AMEN1
SCHEMBL7368226 0.71 CNR2 (0.57) PRNPGAAKMT2AMEN1MAPT
SCHEMBL8528852 0.71 L3MBTL1 (0.44) PRNPGAARXFP1KMT2AALDH1A1
SCHEMBL8797019 0.70 LTC4S (0.39) PRNPRXFP1KMT2AMEN1CYP3A4
SCHEMBL7050341 0.70 CYP3A4 (0.39) GAAMAPTCNR2ANPEPEPHX1

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-5773428-A BONE DISORDERS SYNTEX (U.S.A.) INC. (US) 1998-06-30 US disclosed
EP-0726903-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1996-08-21 EP disclosed
WO-1995012603-A1 MATRIX METALLOPROTEASE INHIBITORS________________________________ SYNTEX (U.S.A.) INC. (US) 1995-05-11 WO disclosed