SCHEMBL6723795

SCHEMBL6723795

O=C(c1ccc(F)cc1)c1cc(I)c(O)c(I)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.51
LTA4H P09960 1/20 0.50
ATM Q13315 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
NPC1 O15118 4/20 0.44
LMNA P02545 4/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 2/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
ALPG P10696 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL6720720 0.84 LMNA (0.62) TTRNPC1LMNARAB9ASMN1; SMN2
SCHEMBL6732706 0.84 TPMT (0.46) TTRLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL5303103 0.83 TTR (0.52) TTRLMNACYP2C19EYA3ESR1
SCHEMBL2785021 0.83 LTA4H (0.48) TTRLTA4HCES2CES1NPC1
SCHEMBL24419784 0.82 ALDH1A1 (0.64) TTRCES2CES1LMNARAB9A
SCHEMBL1070238 0.81 LTA4H (0.64) TTRLTA4HATMCES2CES1
SCHEMBL18398053 0.81 LTA4H (0.50) TTRLTA4HATMCES2CES1
SCHEMBL10800737 0.81 PTGS1 (0.57) TTRLTA4HATMCES2CES1
SCHEMBL6721207 0.80 GABRA1 (0.59) TTRATMNPC1LMNARAB9A
SCHEMBL7177930 0.79 ESR1 (0.50) TTRLTA4HLMNARAB9ASMN1; SMN2

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-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-2003009871-A2 INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR FOR DECREASING BODY MASS GENSET S.A. (FR) 2003-02-06 WO disclosed
WO-2001036351-A2 PLASMINOGEN ACTIVATOR INHIBITOR ANTAGONISTS RELATED APPLICATIONS CORVAS INTERNATIONAL, INC. (US) 2001-05-25 WO disclosed