SCHEMBL16666352

SCHEMBL16666352

CCCCCCCCCCCCCCCC1(C)Oc2c(C)c(C)c(OC)c(C)c2C(=O)C1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.40
PTPN1 P18031 2/20 0.33
DNTT P04053 1/20 0.33
POLB P06746 1/20 0.33
POLA1 P09884 1/20 0.33
IMPDH1 P20839 3/20 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
SCHEMBL16667486 0.91 DNTT (0.41) PSEN1DNTTPOLBPOLA1
SCHEMBL16667485 0.91 DNTT (0.41) PSEN1DNTTPOLBPOLA1
SCHEMBL16666281 0.82 PSEN1 (0.47) PSEN1PTPN1
SCHEMBL16666279 0.82 PSEN1 (0.47) PSEN1PTPN1
SCHEMBL16666396 0.74 PTPN1 (0.39) PSEN1PTPN1
SCHEMBL16666394 0.74 PTPN1 (0.39) PSEN1PTPN1
SCHEMBL16666299 0.74 MEN1 (0.45) PSEN1PTPN1
SCHEMBL16666298 0.74 MEN1 (0.45) PSEN1PTPN1
SCHEMBL16671460 0.74 MEN1 (0.45) PSEN1PTPN1
SCHEMBL19480582 0.69 POLB (0.36) PSEN1PTPN1DNTTPOLBPOLA1

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