SCHEMBL11575459

SCHEMBL11575459

CCCCCCCCCCCCCC(C)Nc1cc(C)c([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 8/20 0.46
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 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
SCHEMBL11578109 0.90 HCAR3 (0.40) HCAR3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL11575463 0.84 HCAR3 (0.42) HCAR3GAAMAPTTSHRLMNA
SCHEMBL11573874 0.81 CISD1 (0.40) ALDH1A1POLB
SCHEMBL11578119 0.75 MAPT (0.38) HCAR3ALDH1A1L3MBTL1GAAMAPT
SCHEMBL29745027 0.73 HCAR3 (0.44) HCAR3ALDH1A1L3MBTL1GAAMAPT
SCHEMBL11576922 0.71 ALDH1A1 (0.71) HCAR3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL29744939 0.71 HCAR3 (0.45) HCAR3ALDH1A1L3MBTL1GAAMAPT
SCHEMBL8178214 0.71 ALDH1A1 (0.47) HCAR3ALDH1A1CYP1A2CYP3A4GAA
SCHEMBL8178211 0.71 ALDH1A1 (0.47) HCAR3ALDH1A1CYP1A2CYP3A4GAA
SCHEMBL23070353 0.71 SMN1; SMN2 (0.57) ALDH1A1GAAMAPTAKR1C3AKR1C2

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