SCHEMBL7434004

SCHEMBL7434004

CC(CC(O)C(=O)O)C(C)(CSc1ccc2ccccc2n1)P=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 7/20 0.47
RXFP1 Q9HBX9 5/20 0.47
ALDH1A1 P00352 5/20 0.47
NPSR1 Q6W5P4 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPK10 P53779 2/20 0.47
RAB9A P51151 1/20 0.44
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PTBP1 P26599 1/20 0.35
MAPT P10636 3/20 0.35
KCNK2 O95069 1/20 0.35
THRB P10828 1/20 0.35
MME P08473 1/20 0.34
ACE P12821 1/20 0.34

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
SCHEMBL7052147 0.74 PRNP (0.47) PRNPRXFP1ALDH1A1NPSR1KDM4E
SCHEMBL8763147 0.72 PRNP (0.49) PRNPRXFP1ALDH1A1NPSR1KDM4E
SCHEMBL7048994 0.69 PRNP (0.51) PRNPRXFP1ALDH1A1NPSR1KDM4E
SCHEMBL7434013 0.67 PRNP (0.48) PRNPRXFP1ALDH1A1NPSR1KDM4E
SCHEMBL7048998 0.65 PRNP (0.48) PRNPRXFP1ALDH1A1NPSR1KDM4E
SCHEMBL7445068 0.65 PRNP (0.48) PRNPRXFP1ALDH1A1NPSR1KDM4E
SCHEMBL1613311 0.65 PRNP (1.00) PRNPRXFP1ALDH1A1NPSR1KDM4E
SCHEMBL7049811 0.65 PRNP (0.47) PRNPRXFP1ALDH1A1NPSR1KDM4E
SCHEMBL8347789 0.64 PRNP (0.59) PRNPRXFP1ALDH1A1NPSR1KDM4E
Hydrochloric Acid SCHEMBL7960964 0.64 PRNP (0.97) PRNPRXFP1ALDH1A1NPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6013792-A INTERSTITIAL COLLAGENASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIOSTEOPOROSIS AGENTS SYNTEX (U.S.A.), INC. (US) 2000-01-11 US disclosed
EP-0712403-B1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1997-09-10 EP disclosed
WO-1996023791-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-08-08 WO disclosed
EP-0712403-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1996-05-22 EP disclosed
WO-1995004735-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1995-02-16 WO disclosed