SCHEMBL8733290

SCHEMBL8733290

[CH]CCCCCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
SIGMAR1 Q99720 3/20 0.53
LMNA P02545 2/20 0.50
PYCR1 P32322 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL9175084 0.98 TSHR (0.57) TSHRSIGMAR1LMNAPYCR1ALDH1A1
SCHEMBL9172279 0.93 TSHR (0.59) TSHRSIGMAR1LMNAPYCR1ALDH1A1
SCHEMBL24767335 0.84 TSHR (0.56) TSHRSIGMAR1LMNAALDH1A1HPGD
SCHEMBL8733292 0.84 TSHR (0.56) TSHRSIGMAR1LMNAALDH1A1HPGD
SCHEMBL8208661 0.84 TSHR (0.56) TSHRSIGMAR1LMNAALDH1A1MEN1
SCHEMBL7471982 0.84 TSHR (0.56) TSHRSIGMAR1LMNAPYCR1ALDH1A1
SCHEMBL6998770 0.83 TSHR (0.59) TSHRSIGMAR1LMNAALDH1A1MEN1
SCHEMBL3029808 0.82 TSHR (0.57) TSHRSIGMAR1LMNAALDH1A1MEN1
SCHEMBL9175089 0.82 TSHR (0.57) TSHRSIGMAR1LMNAPYCR1ALDH1A1
SCHEMBL28087019 0.82 TSHR (0.57) TSHRSIGMAR1LMNAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998043649-A2 AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-08 WO disclosed
CN-1034864-C Maillard reaction inhibitor OTSUKA PHARMA CO LTD (JP) 1997-05-14 CN disclosed
US-5422360-A Hydrazonoimidazolidin-4-one derivatives; treatment of diabetes and aging disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-06 US disclosed
EP-0531812-A1 Maillard reaction inhibitor, process for producing it, composition containing it and the use thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-17 EP disclosed
CN-1069728-A Maillard reaction inhibitor OTSUKA PHARMA CO LTD (JP) 1993-03-10 CN disclosed