SCHEMBL7092172

SCHEMBL7092172

C=CC(=O)OCCCCCc1nc2ccccc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 4/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
HPGD P15428 2/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL5274661 0.84 CYP1A2 (0.67) ALOX15HTTSMN1; SMN2L3MBTL1LMNA
Iodide SCHEMBL3778841 0.82 CYP1A2 (0.65) ALOX15HTTSMN1; SMN2L3MBTL1LMNA
SCHEMBL7076940 0.82 CYP1A2 (0.68) ALOX15HTTSMN1; SMN2L3MBTL1LMNA
SCHEMBL28638703 0.80 HTT (0.61) ALOX15HTTSMN1; SMN2L3MBTL1LMNA
SCHEMBL19342456 0.79 NPC1 (0.52) HTTSMN1; SMN2LMNAMAPK1CYP1A2
SCHEMBL24555323 0.78 ALDH1A1 (0.41) ALOX15SMN1; SMN2L3MBTL1LMNACYP1A2
SCHEMBL19757944 0.78 ALDH1A1 (0.41) ALOX15SMN1; SMN2L3MBTL1LMNACYP1A2
SCHEMBL27509034 0.78 SMN1; SMN2 (0.68) ALOX15HTTSMN1; SMN2L3MBTL1LMNA
Bromide SCHEMBL11522514 0.77 SMN1; SMN2 (0.66) ALOX15HTTSMN1; SMN2L3MBTL1LMNA
SCHEMBL7835167 0.75 SMN1; SMN2 (0.89) ALOX15HTTSMN1; SMN2L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0854388-B1 Negative-type image recording materials FUJI PHOTO FILM CO LTD (JP) 2003-08-13 EP disclosed
US-6068963-A CONTAINS (A) A POLYMER HAVING A HETEROCYCLIC GROUP CONTAINING AN UNSATURATED BOND THEREIN, (B) A CROSS-LINKING AGENT THAT CROSS-LINKS WITH THE AID OF AN ACID, AND (C) A COMPOUND THAT GENERATES AN ACID UPON EXPOSURE TO LIGHT OR HEAT. FUJI PHOTO FILM CO., LTD. (JP) 2000-05-30 US disclosed
EP-0854388-A2 Negative-type image recording materials FUJI PHOTO FILM CO., LTD. (JP) 1998-07-22 EP disclosed