SCHEMBL7440922

SCHEMBL7440922

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
RECQL P46063 2/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL8181481 0.81 MTNR1A (0.38) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL7441938 0.80 ANPEP (0.39) ALDH1A1LMNAHPGDSMN1; SMN2CYP2C9
SCHEMBL7437234 0.78 ALDH1A1 (0.35) KMT2AALDH1A1LMNAMEN1HPGD
SCHEMBL7048999 0.77 PRNP (0.48) KMT2AALDH1A1LMNAMEN1HPGD
SCHEMBL7051275 0.74 HPGD (0.39) KMT2AALDH1A1LMNAMEN1HPGD
SCHEMBL7050264 0.70 KMT2A (0.36) KMT2AALDH1A1LMNAMEN1HPGD
SCHEMBL7049054 0.68 MMP8 (0.37) KMT2AALDH1A1LMNAMEN1HPGD
SCHEMBL8528294 0.67 ALDH1A1 (0.37) KMT2AALDH1A1LMNAMEN1HPGD
SCHEMBL7047068 0.67 SLC13A5 (0.39) KMT2AALDH1A1LMNAMEN1HPGD
SCHEMBL7052129 0.65 KDM4E (0.37) KMT2AALDH1A1LMNAMEN1KDM4E

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 4 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
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