SCHEMBL6723673

SCHEMBL6723673

COc1cccc(Oc2c(I)cc(C(=O)O)cc2I)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.54
KDM4E B2RXH2 2/20 0.52
POLB P06746 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
PGR P06401 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.46
AKR1C3 P42330 1/20 0.46
PARP1 P09874 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
FABP1 P07148 1/20 0.44
RXRA P19793 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TTR P02766 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
SCHEMBL6135844 0.87 NPC1 (0.48) KDM4EPOLBCES2CES1PGR
SCHEMBL6135835 0.86 TPMT (0.58) TPMTKDM4EPOLBMRGPRX4CES2
SCHEMBL6723577 0.81 CA1 (0.54) TPMTKDM4ERAB9ALMNACA1
SCHEMBL4265055 0.79 MRGPRX4 (0.64) TPMTMRGPRX4RAB9AMEN1KMT2A
SCHEMBL2867923 0.79 AKR1C3 (0.73) KDM4EPOLBMRGPRX4CES2CES1
SCHEMBL14024230 0.78 TPMT (0.81) TPMTKDM4ERAB9ALMNARXRA
SCHEMBL1877592 0.78 CA1 (0.63) KDM4EPOLBPGRAKR1C3MTNR1A
SCHEMBL6725156 0.77 MRGPRX4 (0.51) TPMTKDM4EPOLBMRGPRX4LMNA
SCHEMBL6720943 0.76 TPMT (0.50) TPMTPOLBPGRLMNAAKR1C3
SCHEMBL9522943 0.76 THRB (0.64) TPMTKDM4EPOLBPGRLMNA

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 2 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-2001036351-A2 PLASMINOGEN ACTIVATOR INHIBITOR ANTAGONISTS RELATED APPLICATIONS CORVAS INTERNATIONAL, INC. (US) 2001-05-25 WO disclosed