SCHEMBL7962602

SCHEMBL7962602

O=C(O)CCc1ccc(-c2ccc(CCC(=O)O)cn2)nc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.68
FFAR1 O14842 9/20 0.55
FFAR4 Q5NUL3 2/20 0.55
KEAP1 Q14145 1/20 0.52
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
TBXAS1 P24557 2/20 0.47
S1PR1 P21453 1/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL17773803 0.88 P4HTM (0.55) P4HTMFFAR1FFAR4KEAP1CYP4F2
SCHEMBL5298125 0.88 FFAR1 (0.61) P4HTMFFAR1FFAR4KEAP1NPC1
SCHEMBL18165306 0.85 P4HTM (0.55) P4HTMFFAR1FFAR4NPC1TP53
SCHEMBL8414096 0.82 P4HTM (0.66) P4HTMFFAR1FFAR4KEAP1TBXAS1
SCHEMBL30873954 0.81 FFAR1 (0.58) P4HTMFFAR1FFAR4KEAP1S1PR1
SCHEMBL3164361 0.81 CYP11B1 (0.52) P4HTMFFAR1FFAR4KEAP1
SCHEMBL24867549 0.81 FFAR1 (0.69) P4HTMFFAR1FFAR4KEAP1TBXAS1
SCHEMBL20037783 0.81 P4HTM (0.64) P4HTMFFAR1FFAR4KEAP1TBXAS1
SCHEMBL2518100 0.81 GABRP (0.68) P4HTMFFAR1FFAR4KEAP1SMN1; SMN2
SCHEMBL3182301 0.81 P4HTM (0.64) P4HTMFFAR1FFAR4KEAP1TBXAS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187928-B1 TREATING FUNGAL DISEASES THE ROCKEFELLER UNIVERSITY 2001-02-13 US disclosed
US-6087510-A Method of use of imidazolium cations THE ROCKEFELLER UNIVERSITY (US) 2000-07-11 US disclosed
US-5969150-A FLUORESCENT COMPOUNDS FOR MEDICAL DIAGNOSIS, DRUGS AND LABELS OR FUNGICIDES AND VIRICIDES THE ROCKEFELLER UNIVERSITY (US) 1999-10-19 US disclosed
US-5874587-A FLUORESCENCE THE ROCKEFELLER UNIVERSITY (US) 1999-02-23 US disclosed
US-4611890-A Redox chromophore compounds and electrodes of metal containing substituted bipyridines RESEARCH CORPORATION (US) 1986-09-16 US disclosed