SCHEMBL7749227

SCHEMBL7749227

O=C(c1ccc(OC(I)C(=O)Oc2ccccc2)c(I)c1)c1cc(I)c(O)c(I)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.43
NSD2 O96028 1/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
EYA3 Q99504 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
NR1I2 O75469 1/20 0.35
PPARG P37231 1/20 0.35
AGTR2 P50052 1/20 0.35
MEN1 O00255 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7753141 0.84 LMNA (0.40) CYP2C19HPGDEYA3NR1I2PPARG
SCHEMBL6721207 0.69 GABRA1 (0.59) ELANECYP2C19HPGDPTGS1EYA3
SCHEMBL6728507 0.68 MEN1 (0.49) ELANENSD2CYP2C19CYP1A2HPGD
SCHEMBL3951337 0.66 KMT2A (0.53) HPGDHDAC1HDAC8HDAC6MEN1
SCHEMBL31325690 0.66 KMT2A (0.53) HPGDHDAC1HDAC8HDAC6MEN1
SCHEMBL11426657 0.66 HPGD (0.47) CYP1A2HPGDPTGS1PTGS2MEN1
SCHEMBL5303103 0.66 TTR (0.52) CYP2C19PTGS1EYA3GABRA1GABRB1
SCHEMBL6725083 0.65 ESR1 (0.49) ELANENSD2HPGDMEN1KMT2A
SCHEMBL6436867 0.65 CYP1A2 (0.68) CYP2C19CYP1A2CYP2D6HPGDPTGS1
SCHEMBL6723437 0.64 TUBB4A (0.60) HPGDMEN1KMT2A

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
WO-2001036351-A2 PLASMINOGEN ACTIVATOR INHIBITOR ANTAGONISTS RELATED APPLICATIONS CORVAS INTERNATIONAL, INC. (US) 2001-05-25 WO disclosed