SCHEMBL6728239

SCHEMBL6728239

COc1c(I)cc(C2(c3cc(I)c(O)c(I)c3)OC(=O)c3ccccc32)cc1I

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.67
AVPR2 P30518 1/20 0.67
CCR4 P51679 1/20 0.67
AKR1C1 Q04828 1/20 0.58
HSP90AA1 P07900 2/20 0.57
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
TDP1 Q9NUW8 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
RECQL P46063 2/20 0.55
BLM P54132 2/20 0.55
ACE2 Q9BYF1 2/20 0.55
USP2 O75604 1/20 0.55
THRB P10828 1/20 0.55
CDK2 P24941 1/20 0.55
CHAT P28329 1/20 0.55
BLVRB P30043 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
CFTR P13569 1/20 0.54
GOPC Q9HD26 1/20 0.54

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
SCHEMBL2833068 0.91 CXCR1 (0.80) CXCR1AVPR2CCR4AKR1C1HSP90AA1
SCHEMBL19978227 0.85 CXCR1 (0.72) CXCR1AVPR2CCR4AKR1C1HSP90AA1
SCHEMBL19981313 0.85 CXCR1 (0.72) CXCR1AVPR2CCR4AKR1C1HSP90AA1
SCHEMBL4957624 0.81 AKR1C1 (0.63) CXCR1AVPR2CCR4AKR1C1HSP90AA1
SCHEMBL6724982 0.80 CXCR1 (0.61) CXCR1AVPR2CCR4AKR1C1HSP90AA1
SCHEMBL18932748 0.79 AKR1C1 (0.68) CXCR1AVPR2CCR4AKR1C1HSP90AA1
SCHEMBL4958920 0.76 LMNA (0.74) CXCR1AVPR2CCR4AKR1C1HSP90AA1
SCHEMBL8142045 0.75 AKR1C1 (0.67) CXCR1AVPR2CCR4AKR1C1HSP90AA1
SCHEMBL16285465 0.74 MAPT (0.73) CXCR1AVPR2CCR4AKR1C1HSP90AA1
Ethane SCHEMBL11224255 0.74 AKR1C1 (0.94) CXCR1AVPR2CCR4AKR1C1HSP90AA1

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