SCHEMBL8876327

SCHEMBL8876327

O=C1NC(=O)C(=Cc2ccc3cc(OCc4ccccc4F)ccc3c2)S1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 9/20 0.58
HDAC8 Q9BY41 3/20 0.58
HPGD P15428 5/20 0.58
PTPN1 P18031 3/20 0.58
POLB P06746 1/20 0.58
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
IGF1R P08069 1/20 0.55
PPARG P37231 2/20 0.55
CNR1 P21554 1/20 0.53
FOXM1 Q08050 1/20 0.52

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
SCHEMBL8876321 1.00 HDAC4 (0.58) HDAC4HDAC8HPGDPTPN1POLB
SCHEMBL4246813 0.91 XDH (0.53) HDAC4HDAC8HPGDPTPN1POLB
SCHEMBL4246812 0.91 XDH (0.53) HDAC4HDAC8HPGDPTPN1POLB
SCHEMBL8876624 0.84 HPGD (0.81) HDAC4HDAC8HPGDPTPN1POLB
SCHEMBL8876632 0.84 HPGD (0.81) HDAC4HDAC8HPGDPTPN1POLB
SCHEMBL8876071 0.79 HPGD (0.65) HDAC4HDAC8HPGDPTPN1POLB
SCHEMBL8876064 0.79 HPGD (0.65) HDAC4HDAC8HPGDPTPN1POLB
SCHEMBL8876094 0.77 HPGD (0.63) HDAC4HDAC8HPGDPTPN1POLB
SCHEMBL8876102 0.77 HPGD (0.63) HDAC4HDAC8HPGDPTPN1POLB
SCHEMBL4244280 0.77 PTPN1 (0.56) PTPN1MAOB

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-5594016-A ANTIDIABETIC AGENTS MITSUBISHI CHEMICAL CORPORATION (JP) 1997-01-14 US disclosed
EP-0604983-B1 Naphthalene derivatives MITSUBISHI CHEM CORP (JP) 1996-11-20 EP disclosed
EP-0604983-A1 Naphthalene derivatives Mitsubishi Chemical Corporation (JP) 1994-07-06 EP disclosed