SCHEMBL7922510

SCHEMBL7922510

CC(C)C(=O)c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
DBH P09172 1/20 0.47
GAA P10253 1/20 0.47
RECQL P46063 1/20 0.47
LMNA P02545 1/20 0.46
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
NT5E P21589 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
TSSK1B Q9BXA7 1/20 0.40
ADAMTS4 O75173 1/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
CA2 P00918 5/20 0.38

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
SCHEMBL8049079 0.83 ENPP2 (0.50) KDM4EDBHGAARECQL
SCHEMBL10121174 0.82 KDM4E (0.62) KDM4EDBHGAARECQLLMNA
SCHEMBL10136469 0.82 CA2 (0.59) KDM4EDBHGAARECQLCA2
SCHEMBL16473924 0.82 KDM4E (0.46) KDM4EDBHGAARECQLALDH1A1
SCHEMBL22623462 0.81 ALDH1A1 (0.47) KDM4EDBHGAARECQLLMNA
SCHEMBL15045392 0.79 SMN1; SMN2 (0.52) KDM4EDBHGAARECQLLMNA
SCHEMBL601340 0.76 ALDH1A1 (0.58) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL7646230 0.76 ALDH1A1 (0.58) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL10941943 0.75 KDM4E (0.56) KDM4EDBHGAARECQLLMNA
SCHEMBL12418688 0.75 KDM4E (0.56) KDM4EDBHGAARECQLLMNA

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-6229022-B1 REACTING CARBONYL COMPOUNDS WITH HYDRAZINE, ITS HYDRATE OR SALTS IN THE PRESENCE OF SULFURIC ACID AND IODINE OR AN IODINE LIBERATING COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2001-05-08 US disclosed