SCHEMBL9328889

SCHEMBL9328889

CC(=Cc1cc([N+](=O)[O-])ccc1Cl)CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
PPARG P37231 1/20 0.45
THPO P40225 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
SCHEMBL9328885 1.00 MAPT (0.52) MAPTALDH1A1HSD17B10KMT2AMEN1
SCHEMBL9656954 0.86 MAPT (0.50) MAPTALDH1A1HSD17B10KMT2AMEN1
SCHEMBL9328911 0.86 MAPT (0.50) MAPTALDH1A1HSD17B10KMT2AMEN1
SCHEMBL9308714 0.84 MAPT (0.52) MAPTALDH1A1HSD17B10KMT2AMEN1
SCHEMBL9308709 0.84 MAPT (0.52) MAPTALDH1A1HSD17B10KMT2AMEN1
SCHEMBL9551016 0.81 MAPT (0.56) MAPTALDH1A1HSD17B10KMT2AMEN1
SCHEMBL9384129 0.81 MAPT (0.56) MAPTALDH1A1HSD17B10KMT2AMEN1
SCHEMBL9399639 0.80 GLO1 (0.57) MAPTALDH1A1HSD17B10KMT2AMEN1
SCHEMBL9385208 0.79 MAPT (0.53) MAPTALDH1A1HSD17B10KMT2AMEN1
SCHEMBL10853526 0.79 MAPT (0.53) MAPTALDH1A1HSD17B10KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300387-B1 Phenyl alkenylcarboxylic acids and their esters BASF AG (DE) 1994-03-23 EP disclosed
US-5123955-A Herbicides, chloro and tetrahydrophthalimido-substituted phenyl PLATH PETER (DE) 1992-06-23 US disclosed
US-4933001-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1990-06-12 US disclosed
EP-0300387-A2 Phenyl alkenylcarboxylic acids and their esters BASF Aktiengesellschaft (DE) 1989-01-25 EP disclosed