SCHEMBL7172000

SCHEMBL7172000

[CH2]CC(c1ccccc1)S(=O)(=O)CCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.45
AGTR2 P50052 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
CNR1 P21554 1/20 0.39
EPHX2 P34913 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KCNH2 Q12809 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
TSHR P16473 1/20 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
SCHEMBL750645 0.74 CA2 (0.51) CA2KDM4EPOLBALDH1A1HDAC3
SCHEMBL751883 0.74 CA2 (0.51) CA2KDM4EPOLBALDH1A1HDAC3
SCHEMBL8907294 0.71 CA2 (0.49) CA2KDM4EPOLBALDH1A1MEN1
SCHEMBL16398871 0.71 CA2 (0.56) CA2KDM4EPOLBALDH1A1HDAC3
SCHEMBL777369 0.70 CA2 (0.71) CA2KDM4EPOLBALDH1A1HDAC3
SCHEMBL7752229 0.70 KCNH2 (0.47) CNR1KCNH2ADRA1ASLC6A3
SCHEMBL27911507 0.70 MMP13 (0.37) KDM4EPOLBALDH1A1KMT2A
SCHEMBL3250020 0.70 SRC (0.53) CA2KDM4EPOLBALDH1A1TSHR
SCHEMBL7171970 0.69 CA2 (0.44) CA2KDM4EALDH1A1KCNH2
SCHEMBL11758463 0.69 CA2 (0.46) CA2POLBALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6576613-B1 Arginine derivatives; monitoring plasminogen activator levels; inhibiting angiogenesis and tumor cell growth CORVAS INTERNATIONAL, INC. 2003-06-10 US disclosed
US-6432922-B1 ANTITUMOR AGENTS; ANGIOGENESIS INHIBITORS CORVAS INTERNATIONAL, INC. 2002-08-13 US disclosed