SCHEMBL8997311

SCHEMBL8997311

CCCC(=O)NC1(C(N)=O)CCSCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.43
CTSD P07339 1/20 0.38
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX2 P34913 1/20 0.31
MPI P34949 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CASP2 P42575 1/20 0.30

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
SCHEMBL21083999 0.84 SPHK1 (0.46) SPHK1CTSDHDAC3HDAC1HDAC2
SCHEMBL20221443 0.83 SPHK1 (0.45) SPHK1CTSDHDAC3HDAC1HDAC2
SCHEMBL1131711 0.75 SPHK1 (0.55) SPHK1LMNAKDM4EKMT2AEPHX2
SCHEMBL12589497 0.72 SPHK1 (0.44) SPHK1KDM4EKMT2A
SCHEMBL8997317 0.72 CTSS (0.35) CTSDHDAC3HDAC1HDAC2HDAC8
SCHEMBL2086150 0.70 KMT2A (0.38) KDM4EKMT2A
SCHEMBL21083751 0.69 SPHK1 (0.38) SPHK1LMNAKDM4EKMT2A
SCHEMBL30389190 0.68 SPHK1 (0.37) SPHK1LMNAKDM4EKMT2AL3MBTL1
SCHEMBL15116522 0.67 LMNA (0.46) SPHK1CTSDHDAC3HDAC1HDAC2
SCHEMBL13502740 0.67 SPHK1 (0.37) SPHK1CTSDKDM4EKMT2A

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-5512681-A HORMONE INHIBITORS FOR TREATMENT OF HYPERTENSION OR CONGESTIVE HEART FAILURE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-04-30 US disclosed
EP-0601039-A1 ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLINONE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-06-15 EP disclosed
WO-1993004046-A1 ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLINONE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-03-04 WO disclosed