SCHEMBL24251258

SCHEMBL24251258

CCCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)OCC)cc3)c2C)C(=O)N1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 3/20 0.46
HTT P42858 3/20 0.46
MAPT P10636 9/20 0.45
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
POLB P06746 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 4/20 0.45
RXFP1 Q9HBX9 1/20 0.44
MDM2 Q00987 3/20 0.44
RECQL P46063 2/20 0.42
GAA P10253 2/20 0.42
HSP90AA1 P07900 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41

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
SCHEMBL24943175 1.00 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2HPGDHTT
SCHEMBL24251267 0.97 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2HPGDHTT
SCHEMBL24251266 0.90 HPGD (0.53) ALDH1A1LMNASMN1; SMN2HPGDHTT
SCHEMBL26277368 0.89 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2HPGDHTT
SCHEMBL24251259 0.89 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2HPGDHTT
SCHEMBL26277371 0.89 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL24251261 0.89 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL26277366 0.87 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2HPGDHTT
SCHEMBL24943173 0.86 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2HPGDHTT
SCHEMBL24614124 0.86 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2HPGDHTT

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-20220049068-A1 RESIN COMPOSITION, LIQUID COMPOSITION, COLORING AGENT COMPOUND, AND OPTICAL MATERIAL FUJIFILM CORPORATION (JP) 2022-02-17 US disclosed