SCHEMBL11289703

SCHEMBL11289703

CC(=O)OC(OC(C)=O)c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
PDK1 Q15118 1/20 0.43
VCAM1 P19320 1/20 0.42
PKM P14618 1/20 0.41
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
APP P05067 1/20 0.40

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
SCHEMBL12619427 0.82 ALDH1A1 (0.43) MAPK1LMNAALDH1A1PDK1PKM
SCHEMBL27918543 0.78 ALDH1A1 (0.58) TSHRLMNAALDH1A1CYP1A2MEN1
SCHEMBL27489083 0.78 TSHR (0.46) MAPK1TSHRLMNAALDH1A1PDK1
SCHEMBL27778996 0.77 PDK1 (0.49) MAPK1TSHRLMNAALDH1A1PDK1
SCHEMBL624054 0.77 ALDH1A1 (0.64) MAPK1TSHRLMNAALDH1A1PDK1
SCHEMBL14267713 0.77 HSD17B10 (0.49) MAPK1LMNAALDH1A1PKMMEN1
SCHEMBL5150129 0.76 MAPK1 (0.50) MAPK1TSHRALDH1A1PDK1VCAM1
SCHEMBL5996591 0.76 MAPK1 (0.50) MAPK1TSHRALDH1A1PDK1VCAM1
SCHEMBL5996588 0.76 MAPK1 (0.50) MAPK1TSHRALDH1A1PDK1VCAM1
SCHEMBL27654745 0.76 PDK1 (0.49) MAPK1TSHRLMNAALDH1A1PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0008759-B1 NEW PROCESS FOR PREPARING AN 1H-INDAZOL-3-YLACETIC ACID DERIVATIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-12-01 EP disclosed
EP-0008759-A2 New process for preparing an 1H-indazol-3-ylacetic acid derivative FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-03-19 EP disclosed