SCHEMBL9330347

SCHEMBL9330347

COC(=O)C(C)=CC(C)=Cc1cc(N)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 2/20 0.31
PYGL P06737 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL9305897 0.89 GAA (0.41) GAALMNAMAPTPOLBCYP3A4
SCHEMBL9305893 0.89 GAA (0.41) GAALMNAMAPTPOLBCYP3A4
SCHEMBL9328408 0.81 MAPT (0.48) GAALMNAMAPTNPSR1MEN1
SCHEMBL9551025 0.80 GAA (0.41) GAAMAPTNPSR1CYP3A4TSHR
SCHEMBL9551024 0.80 GAA (0.41) GAAMAPTNPSR1CYP3A4TSHR
SCHEMBL9330263 0.80 ALDH1A1 (0.40) GAALMNAMAPTNPSR1SMN1; SMN2
SCHEMBL9763394 0.75 AKR1C3 (0.42) GAAMAPTPOLBCYP3A4TSHR
SCHEMBL9330262 0.75 GAA (0.39) GAALMNAMAPTCYP3A4TSHR
SCHEMBL9655352 0.75 GAA (0.39) GAALMNAMAPTCYP3A4TSHR
SCHEMBL9329084 0.71 GAA (0.35) GAAMAPTCYP3A4TSHRMEN1

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