SCHEMBL6720828

SCHEMBL6720828

O=C(O)c1cc(I)c(OC(F)c2ccccc2F)c(I)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.40
TTR P02766 2/20 0.38
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
GAA P10253 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CNR2 P34972 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2C Q14957 1/20 0.33
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7032802 0.73 SRD5A2 (0.51) TPMTTTRCES2CES1MEN1
SCHEMBL6725924 0.72 TPMT (0.40) TPMTTTRALDH1A1MEN1KMT2A
SCHEMBL5309567 0.72 KDM4E (0.46) CES2CES1GAALMNAALDH1A1
SCHEMBL6725244 0.70 MAOB (0.49) MRGPRX4ALDH1A1
SCHEMBL6731544 0.70 PTPN1 (0.37) TPMTLMNAALDH1A1MEN1KMT2A
SCHEMBL6725090 0.69 ALKBH1 (0.46) TPMTMRGPRX4MEN1KMT2A
SCHEMBL6725300 0.69 PPARG (0.43) TPMTCES2CES1GAALMNA
SCHEMBL29144772 0.65 TTR (0.47) TTRCES2CES1GAACNR2
SCHEMBL5298178 0.65 ALDH1A1 (0.53) CES2CES1GAALMNAALDH1A1
SCHEMBL27668701 0.64 MEN1 (0.49) CES2CES1GAALMNAALDH1A1

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
WO-2001036351-A2 PLASMINOGEN ACTIVATOR INHIBITOR ANTAGONISTS RELATED APPLICATIONS CORVAS INTERNATIONAL, INC. (US) 2001-05-25 WO claimed
US-6677473-B1 TREATMENT, PREVENTION OR AMELIORATION OF ONE OR MORE SYMPTOMS OF THROMBOTIC DISORDERS, UNSTABLE ANGINA OR CANCER CORVAS INTERNATIONAL INC 2004-01-13 US disclosed
WO-2001036351-A2 PLASMINOGEN ACTIVATOR INHIBITOR ANTAGONISTS RELATED APPLICATIONS CORVAS INTERNATIONAL, INC. (US) 2001-05-25 WO disclosed