SCHEMBL11565013

SCHEMBL11565013

C=CCc1ccc(NCCCCC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
KCNH3 Q9ULD8 2/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
PRSS1 P07477 6/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
F2 P00734 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
TMPRSS6 Q8IU80 2/20 0.39
ST14 Q9Y5Y6 2/20 0.39
MEN1 O00255 1/20 0.38

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
Acetic Acid SCHEMBL28174260 0.86 PRSS1 (0.43) THRATHRBPRSS1HRH3F2
SCHEMBL2064722 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL11238623 0.83 ABL1 (0.46) ABL1SMN1; SMN2KCNH3THRATHRB
SCHEMBL1240317 0.82 CA12 (0.47) ABL1ALDH1A1KCNH3THRATHRB
SCHEMBL1241959 0.81 ABL1 (0.56) ABL1ALDH1A1TSHRKCNH3PRSS1
SCHEMBL9512936 0.81 ABL1 (0.47) ABL1ALDH1A1KCNH3THRATHRB
SCHEMBL10436415 0.80 ABL1 (0.49) ABL1ALDH1A1SMN1; SMN2ALOX15ALOX12
SCHEMBL31081617 0.80 ABL1 (0.49) ABL1ALDH1A1SMN1; SMN2KCNH3PRSS1
SCHEMBL187892 0.79 ABL1 (0.59) ABL1ALDH1A1TSHRKCNH3PRSS1
SCHEMBL11476522 0.79 ABL1 (0.59) ABL1ALDH1A1TSHRKCNH3PRSS1

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
US-4158063-A Acylamino(alkyl)benzene derivatives and process for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-12 US claimed
US-4158063-A Acylamino(alkyl)benzene derivatives and process for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-12 US disclosed
US-4158063-A Acylamino(alkyl)benzene derivatives and process for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-12 US disclosed
US-4158063-A Acylamino(alkyl)benzene derivatives and process for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-12 US disclosed