SCHEMBL3395450

SCHEMBL3395450

O=C(O)N1C(=O)CC[C@H]1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.42
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
ABCC4 O15439 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.40
HTT P42858 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
ABHD6 Q9BV23 3/20 0.40
DAGLA Q9Y4D2 3/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
FFAR1 O14842 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
SCHEMBL3395452 1.00 CYP26A1 (0.42) CYP26A1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL22462730 0.91 ABCB1 (0.41) ALDH1A1
SCHEMBL598931 0.89 BRD4 (0.42) CYP26A1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL598932 0.89 BRD4 (0.42) CYP26A1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL12518938 0.88 ABCB1 (0.44) CYP26A1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL13717031 0.88 ABCB1 (0.44) CYP26A1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL598349 0.85 HCRTR1 (0.39) CYP26A1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL598350 0.85 HCRTR1 (0.39) CYP26A1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8181740 0.84 HCRTR1 (0.38) CYP26A1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL16014894 0.84 ALDH1A1 (0.38) RAB9ASMN1; SMN2MEN1ALDH1A1KMT2A

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-105061314-A Neprilysin inhibitors THERAVANCE INC 2015-11-18 CN disclosed
CN-103261164-B Enkephalinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-08-19 CN disclosed
CN-103261164-A Enkephalinase inhibitors THERAVANCE INC 2013-08-21 CN disclosed
EP-2245009-A2 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF 5-BIPHENYL-4-YL-2-METHYLPENTANOIC ACID DERIVATIVES Novartis AG (CH) 2010-11-03 EP disclosed
WO-2009090251-A2 NEW PROCESSES NOVARTIS AG (CH) 2009-07-23 WO disclosed