SCHEMBL6725404

SCHEMBL6725404

O=C(O)CCCCCCCCCCOc1c(I)cc(C(=O)O)cc1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.45
PLA2G2A P14555 1/20 0.44
PPARA Q07869 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PLAU P00749 1/20 0.41
ALB P02768 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
LTB4R Q15722 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
F13A1 P00488 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL4614908 0.87 ALDH1A1 (0.44) PPARAALDH1A1ALBTHRATHRB
SCHEMBL4612445 0.87 ALDH1A1 (0.44) PPARAALDH1A1ALBTHRATHRB
SCHEMBL4614875 0.87 ALDH1A1 (0.44) PPARAALDH1A1ALBTHRATHRB
SCHEMBL4612093 0.87 ALDH1A1 (0.44) PPARAALDH1A1ALBTHRATHRB
SCHEMBL4613899 0.87 ALDH1A1 (0.44) PPARAALDH1A1ALBTHRATHRB
SCHEMBL4612767 0.87 ALDH1A1 (0.44) PPARAALDH1A1ALBTHRATHRB
SCHEMBL4613044 0.87 ALDH1A1 (0.44) PPARAALDH1A1ALBTHRATHRB
SCHEMBL4614545 0.87 ALDH1A1 (0.44) PPARAALDH1A1ALBTHRATHRB
SCHEMBL4611450 0.87 ALDH1A1 (0.44) PPARAALDH1A1ALBTHRATHRB
SCHEMBL4614565 0.87 ALDH1A1 (0.44) PPARAALDH1A1ALBTHRATHRB

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