SCHEMBL7962910

SCHEMBL7962910

O=C(O)CCc1ccnc(-c2cc(CCC(=O)O)ccn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.51
KEAP1 Q14145 1/20 0.50
P4HTM Q9NXG6 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.45
PTPRB P23467 1/20 0.45
CDC25A P30304 1/20 0.45
CDC25B P30305 1/20 0.45
PTEN P60484 1/20 0.45
PTPMT1 Q8WUK0 1/20 0.45
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 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
SCHEMBL30096050 0.90 CCR1 (0.53) FFAR1TBXAS1
SCHEMBL17773804 0.90 KDM4E (0.55) FFAR1KEAP1P4HTM
SCHEMBL17773802 0.90 CCR1 (0.53) FFAR1TBXAS1
SCHEMBL2961287 0.81 FFAR1 (0.64) FFAR1KEAP1P4HTMTBXAS1
SCHEMBL7388387 0.81 GABRP (0.69) FFAR1KEAP1P4HTMPTPRBCDC25A
SCHEMBL17054221 0.81 FFAR1 (0.64) FFAR1KEAP1P4HTMLOXL2TBXAS1
SCHEMBL17097356 0.81 KEAP1 (0.47) FFAR1KEAP1P4HTMPTPRBCDC25A
SCHEMBL29009869 0.81 FFAR1 (0.64) FFAR1KEAP1P4HTMLOXL2PTPRB
SCHEMBL1411932 0.81 SMN1; SMN2 (0.50) FFAR1TBXAS1
SCHEMBL16320999 0.81 SMN1; SMN2 (0.53) FFAR1

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 4 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