SCHEMBL9850173

SCHEMBL9850173

C=CC[N+]Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.37
CALM1 P0DP23 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.34
TSHR P16473 4/20 0.33
ALDH1A1 P00352 3/20 0.33
LOXL2 Q9Y4K0 2/20 0.33
IDO1 P14902 1/20 0.33
TP53 P04637 1/20 0.33
TRPA1 O75762 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH7 P40394 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
SCHEMBL8780548 0.77 CALM1 (0.50) MAOBCALM1SMN1; SMN2TSHRALDH1A1
Allylbenzene SCHEMBL21274 0.67
Allylbenzene SCHEMBL2478260 0.67 MAOB (0.60) MAOBCALM1SMN1; SMN2GAATSHR
Allylbenzene SCHEMBL10325179 0.67 MAOB (0.60) MAOBCALM1SMN1; SMN2GAATSHR
Allylbenzene SCHEMBL10436169 0.67 MAOB (0.52) MAOBCALM1SMN1; SMN2GAATSHR
SCHEMBL8454841 0.67 ALDH1A1 (0.36) GAATSHRALDH1A1L3MBTL1HPGD
Allylbenzene SCHEMBL6417054 0.65 MAOB (0.57) MAOBCALM1SMN1; SMN2GAATSHR
Allylbenzene SCHEMBL5593566 0.65 MAOB (0.57) MAOBCALM1SMN1; SMN2GAATSHR
Allylbenzene SCHEMBL3704854 0.65 MAOB (0.57) MAOBCALM1SMN1; SMN2GAATSHR
Allylbenzene SCHEMBL12004553 0.65 MAOB (0.57) MAOBCALM1SMN1; SMN2GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0437843-A1 Alkenylaminomethylene phosphonic acids and their copolymers with unsaturated carboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-24 EP disclosed