SCHEMBL16666396

SCHEMBL16666396

CCCCCCCCCCCCCCCC1(C)CC(=O)c2c(C)c(OC)c(C)c(C)c2O1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.39
AKT1 P31749 3/20 0.38
PSEN1 P49768 6/20 0.35
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE4A P27815 1/20 0.31
PDE3A Q14432 1/20 0.31
GSTO1 P78417 1/20 0.30

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
SCHEMBL16666394 1.00 PTPN1 (0.39) PTPN1AKT1PSEN1MEN1KMT2A
SCHEMBL16666419 0.81 AKT1 (0.52) PTPN1AKT1PSEN1MEN1KMT2A
SCHEMBL16666423 0.81 AKT1 (0.52) PTPN1AKT1PSEN1MEN1KMT2A
SCHEMBL16666422 0.81 AKT1 (0.52) PTPN1AKT1PSEN1MEN1KMT2A
SCHEMBL14544421 0.76 PSEN1 (0.50) PTPN1AKT1PSEN1MEN1KMT2A
SCHEMBL16666352 0.74 PSEN1 (0.40) PTPN1PSEN1
SCHEMBL16667485 0.73 DNTT (0.41) PSEN1KMT2A
SCHEMBL16667486 0.73 DNTT (0.41) PSEN1KMT2A
SCHEMBL16666546 0.70 PTGS1 (0.39) PSEN1
SCHEMBL5838691 0.70 MEN1 (0.45) PTPN1AKT1PSEN1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2865677-B1 Synthesis of chromane compounds and their derivatives by a copper-catalyzed conjugate addition reaction DSM IP ASSETS BV (NL) 2016-11-23 EP disclosed
WO-2015059129-A1 SYNTHESIS OF CHROMANE COMPOUNDS AND THEIR DERIVATIVES BY A COPPER-CATALYZED CONJUGATE ADDITION REACTION DSM IP ASSETS B.V. (NL) 2015-04-30 WO disclosed
EP-2865677-A1 Synthesis of chromane compounds and their derivatives by a copper-catalyzed conjugate addition reaction DSM IP Assets B.V. (NL) 2015-04-29 EP disclosed