SCHEMBL27738516

SCHEMBL27738516

O=CCCCC(=O)OC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.60
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 2/20 0.42
CYP19A1 P11511 2/20 0.41
EPHX1 P07099 2/20 0.40
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
MIF P14174 1/20 0.35
GAA P10253 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
EPHX2 P34913 1/20 0.33

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
SCHEMBL27828937 0.98 NAAA (0.59) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL7287260 0.95 NAAA (0.63) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL15619801 0.93 NAAA (0.66) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL18941412 0.92 NAAA (0.64) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL27538955 0.91 NAAA (0.49) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL2048685 0.89 NAAA (0.54) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL4570309 0.85 NAAA (0.72) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL17675641 0.85 NAAA (0.79) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL207867 0.85 NAAA (0.79) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL19150279 0.85 NAAA (0.72) NAAACYP2C19SMN1; SMN2HTTCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116018334-A Process for preparing 3- (cyclohex-1-en-1-yl) propanal derivatives 弗门尼舍有限公司 2023-04-25 CN claimed
CN-116018334-A Process for preparing 3- (cyclohex-1-en-1-yl) propanal derivatives 弗门尼舍有限公司 2023-04-25 CN disclosed
CN-101668423-B 2-aminopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV 2013-10-30 CN disclosed
CN-101668423-A 2-aminopyrimidine modulators of the histamine h4 receptor JANSSEN PHARMACEUTICA NV 2010-03-10 CN disclosed
CN-101410387-A Pyridyl-and pyrimidinyl-substituted pyrrole-, thiophene-and furan-derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2009-04-15 CN disclosed