SCHEMBL11575463

SCHEMBL11575463

CCCCCCCCCCCCC(C)CNc1cc(C)c([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.42
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
CISD1 Q9NZ45 6/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PLK1 P53350 1/20 0.36

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
SCHEMBL11578119 0.90 MAPT (0.38) HCAR3MAPTGAALMNAPOLB
SCHEMBL11575459 0.84 HCAR3 (0.46) HCAR3MAPTGAATSHRLMNA
SCHEMBL11578109 0.75 HCAR3 (0.40) HCAR3MAPTLMNAPOLBSMN1; SMN2
SCHEMBL3979062 0.71 CISD1 (0.38) CISD1TSHRPLK1
SCHEMBL11578115 0.71 ALDH1A1 (0.49) MAPTGAATSHRLMNAPOLB
SCHEMBL8178211 0.69 ALDH1A1 (0.47) HCAR3MAPTGAALMNAPOLB
SCHEMBL8178214 0.69 ALDH1A1 (0.47) HCAR3MAPTGAALMNAPOLB
SCHEMBL8136865 0.68 TSHR (0.58) HCAR3MAPTTSHRLMNAPOLB
SCHEMBL8129334 0.68 TSHR (0.58) HCAR3MAPTTSHRLMNAPOLB
SCHEMBL12488148 0.67 TSHR (0.50) HCAR3MAPTGAATSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4066456-A COLOR PHOTOGRAPHIC FILMS GAF CORPORATION (US) 1978-01-03 US disclosed