SCHEMBL11036045

SCHEMBL11036045

C=CCN(CCNS(C)(=O)=O)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ESR1 P03372 2/20 0.41
▸ ESRRG P62508 5/20 0.34
▸ LMNA P02545 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ESRRB O95718 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL11553471 0.76 ESR1 (0.39) ESR1ESRRGALDH1A1MAPTPOLB
SCHEMBL1018958 0.75 ESR1 (0.45) ESR1ESRRGLMNAALDH1A1MAPT
SCHEMBL9259732 0.71 SMN1; SMN2 (0.61) SMN1; SMN2ESR1LMNAALDH1A1RAB9A
SCHEMBL10381630 0.69 CNR2 (0.51) ALDH1A1MAPTCNR1CNR2MEN1
SCHEMBL10826105 0.69 CA12 (0.40) ESRRGALDH1A1MAPTPOLBGAA
SCHEMBL8216659 0.69 POLB (0.43) SMN1; SMN2LMNAALDH1A1MAPTPOLB
SCHEMBL2156655 0.68 ALDH1A1 (0.55) ESRRGLMNAALDH1A1MAPTCNR2
Sulfuric Acid SCHEMBL8394870 0.68 ALDH1A1 (0.50) SMN1; SMN2ESRRGLMNAALDH1A1MAPT
Hydrochloric Acid SCHEMBL11330629 0.68 CA12 (0.39) ESRRGLMNAALDH1A1MAPTPOLB
Hydrochloric Acid SCHEMBL10825981 0.68 CA12 (0.39) ESRRGLMNAALDH1A1MAPTPOLB

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-0135017-A1 Process for the stabilisation of poly(phenylene ether) solutions BASF Aktiengesellschaft (DE) 1985-03-27 — — EP disclosed
Send feedback