SCHEMBL2335580

SCHEMBL2335580

O=C(O)CC(CCl)C1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
EPHX1 P07099 3/20 0.38
LMNA P02545 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
FFAR1 O14842 1/20 0.34
PNP P00491 1/20 0.34
TP53 P04637 2/20 0.33
MITF O75030 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL11479938 0.98 ALDH1A1 (0.63) ALDH1A1EPHX1LMNAMEN1KMT2A
SCHEMBL28480892 0.87 ALDH1A1 (0.77) ALDH1A1EPHX1LMNAMEN1KMT2A
SCHEMBL11151764 0.82 ALDH1A1 (0.69) ALDH1A1EPHX1LMNAMEN1KMT2A
SCHEMBL11042948 0.80 ALDH1A1 (1.00) ALDH1A1EPHX1LMNATP53SMN1; SMN2
SCHEMBL28935133 0.80 ALDH1A1 (0.67) ALDH1A1EPHX1FFAR1SMN1; SMN2KDM4E
SCHEMBL6135606 0.79 ALDH1A1 (0.66) ALDH1A1EPHX1FFAR1TP53SMN1; SMN2
SCHEMBL13693493 0.78 ALDH1A1 (0.65) ALDH1A1EPHX1KMT2ASMN1; SMN2
SCHEMBL28087858 0.78 ALDH1A1 (0.70) ALDH1A1EPHX1LMNAMEN1KMT2A
SCHEMBL1857831 0.78 ALDH1A1 (0.65) ALDH1A1EPHX1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL11274069 0.78 ALDH1A1 (0.96) ALDH1A1EPHX1LMNAMEN1KMT2A

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
US-8247609-B2 Aminoacid derivatives containing a disulfanyl group in the form of mixed disulfanyl and aminopeptidase N inhibitors Pharamleads (FR) 2012-08-21 US disclosed
EP-1940818-B1 AMINOACID DERIVATIVES CONTAINING A DISULFANYL GROUP IN THE FORM OF MIXED DISULFANYL AND AMINOPEPTIDASE N INHIBITORS PHARMALEADS (FR) 2011-08-24 EP disclosed