SCHEMBL8518486

SCHEMBL8518486

O=C(O)CCC(=O)OC(=O)[C@@H]1CCCCCCN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.33
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NLRP1 Q9C000 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
MMP3 P08254 2/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 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
SCHEMBL8518994 0.98 LMNA (0.42) LMNAALDH1A1CYP3A4MEN1MITF
SCHEMBL11559279 0.94 LMNA (0.40) LMNAALDH1A1MEN1KMT2AHTR2C
SCHEMBL542283 0.87 NOS2 (0.39) HTR2CELANEPRCP
SCHEMBL11560266 0.84 TSHR (0.38) LMNATSHRELANEPRCP
Succinic Acid SCHEMBL15323280 0.82 PRCP (0.38) LMNAALDH1A1CYP3A4MEN1KMT2A
SCHEMBL10885146 0.79 NOS2 (0.40) CYP3A4CYP2D6CYP2C9TSHRELANE
SCHEMBL28362259 0.79 KMT2A (0.32) LMNAALDH1A1CYP3A4MEN1MITF
SCHEMBL28365927 0.79 KMT2A (0.32) LMNAALDH1A1CYP3A4MEN1MITF
SCHEMBL6805970 0.78 NOS2 (0.33) HTR2CELANEPRCP
SCHEMBL5792429 0.78 MAPT (0.38) ALDH1A1MEN1TP53MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912546-A1 IMPROVED RESERVOIR COMPONENTS AUSTRALIAN MEMBRANE AND BIOTECHNOLOGY RESEARCH INSTITUTE (AU) 1999-05-06 EP disclosed
WO-1997043274-A1 IMPROVED RESERVOIR COMPONENTS AUSTRALIAN MEMBRANE AND BIOTECHNOLOGY RESEARCH INSTITUTE (AU) 1997-11-20 WO disclosed