SCHEMBL6725053

SCHEMBL6725053

O=C(CC12CC3CC(CC(C3)C1)C2)Oc1c(I)cc(C(=O)O)cc1I

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RX7 Q99572 3/20 0.40
TPMT P51580 2/20 0.39
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
NR4A1 P22736 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR55 Q9Y2T6 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
SCHEMBL7037857 0.76 HSD11B1 (0.42) P2RX7TPMT
Adamantane SCHEMBL6725055 0.74 TPMT (0.49) MEN1KMT2ATPMTLMNAALDH1A1
SCHEMBL28363484 0.72 P2RX7 (0.58) MEN1KMT2AP2RX7LMNA
SCHEMBL25527372 0.71 TPMT (0.49) MEN1KMT2ATPMTLMNAALDH1A1
SCHEMBL17854065 0.69 TPMT (0.58) TPMTLMNAALDH1A1POLBSMN1; SMN2
SCHEMBL14244393 0.69 KDM4E (0.64) MEN1KMT2AP2RX7LMNAALDH1A1
SCHEMBL25657997 0.68 P2RX7 (0.47) MEN1KMT2AP2RX7LMNAALDH1A1
SCHEMBL98155 0.68 P2RX7 (0.44) MEN1KMT2AP2RX7LMNAALDH1A1
SCHEMBL15536305 0.67 SCN9A (0.66) P2RX7
SCHEMBL19895701 0.67 ALDH1A1 (0.53) KMT2AP2RX7LMNAALDH1A1SMN1; 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