SCHEMBL6725296

SCHEMBL6725296

O=C(O)c1cc(I)c(OCc2cccc(Oc3ccccc3F)c2)c(I)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.58
LPAR1 Q92633 3/20 0.48
LPAR5 Q9H1C0 3/20 0.48
NR4A2 P43354 5/20 0.46
FFAR4 Q5NUL3 1/20 0.46
PPARG P37231 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4265055 0.80 MRGPRX4 (0.64) MRGPRX4NR4A2MEN1KMT2ATP53
SCHEMBL4267556 0.80 NR4A2 (0.64) MRGPRX4NR4A2MEN1KMT2A
SCHEMBL4280685 0.79 MRGPRX4 (0.60) MRGPRX4NR4A2MEN1KMT2ASMN1; SMN2
SCHEMBL4269670 0.79 MEN1 (0.63) NR4A2MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL6725090 0.77 ALKBH1 (0.46) MRGPRX4NR4A2MEN1KMT2A
SCHEMBL4265967 0.77 F2 (0.49) MRGPRX4NR4A2MEN1KMT2ATP53
SCHEMBL6724979 0.76 SRD5A2 (0.58) MRGPRX4NR4A2MEN1KMT2ANPC1
SCHEMBL6725244 0.76 MAOB (0.49) MRGPRX4LPAR1LPAR5
SCHEMBL6720945 0.75 NR4A2 (0.59) NR4A2MEN1KMT2A
SCHEMBL27824670 0.75 AKR1C3 (0.67) MRGPRX4LPAR1LPAR5NR4A2PPARG

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