SCHEMBL8395441

SCHEMBL8395441

CCNC(=O)C(=NOCC)c1ccccc1COc1ccccc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
SGMS2 Q8NHU3 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
HIF1A Q16665 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL8395437 1.00 PTGDR2 (0.41) PTGDR2HTTTP53SGMS2PSEN1
SCHEMBL8395411 0.90 HIF1A (0.48) PTGDR2HTTTP53SGMS2RXRA
SCHEMBL8399010 0.90 ALDH1A1 (0.42) PTGDR2HTTTP53SGMS2RXRA
SCHEMBL8395405 0.90 HIF1A (0.48) PTGDR2HTTTP53SGMS2RXRA
SCHEMBL8399016 0.90 ALDH1A1 (0.42) PTGDR2HTTTP53SGMS2RXRA
SCHEMBL8396415 0.89 ALDH1A1 (0.41) PTGDR2HTTHIF1AMAPTALDH1A1
SCHEMBL8396410 0.89 ALDH1A1 (0.41) PTGDR2HTTHIF1AMAPTALDH1A1
SCHEMBL8398055 0.89 MRGPRX4 (0.47) PTGDR2HTTTP53HIF1ANPSR1
SCHEMBL8398061 0.89 MRGPRX4 (0.47) PTGDR2HTTTP53HIF1ANPSR1
SCHEMBL349565 0.86 HTT (0.47) PTGDR2HTTTP53SGMS2RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644183-B1 Process of producing N-alkylacetamides SHIONOGI & CO (JP) 1999-06-02 EP disclosed
EP-0658541-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO (JP) 1998-05-20 EP disclosed
US-5510506-A Process for producing carboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 1996-04-23 US disclosed
US-5498792-A Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1996-03-12 US disclosed
EP-0658541-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 1995-06-21 EP disclosed
EP-0644183-A2 Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1995-03-22 EP disclosed