SCHEMBL16667485

SCHEMBL16667485

CCCCCCCCCCCCCCC[C@@]1(C)Oc2c(C)c(C)c(OC)c(C)c2C(=O)C1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNTT P04053 3/20 0.41
POLA1 P09884 2/20 0.41
POLB P06746 1/20 0.41
PSEN1 P49768 6/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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 1.00 DNTT (0.41) DNTTPOLA1POLBPSEN1RAB9A
SCHEMBL16666352 0.91 PSEN1 (0.40) DNTTPOLA1POLBPSEN1
SCHEMBL16666298 0.83 MEN1 (0.45) PSEN1LMNAKMT2A
SCHEMBL16666299 0.83 MEN1 (0.45) PSEN1LMNAKMT2A
SCHEMBL16671460 0.83 MEN1 (0.45) PSEN1LMNAKMT2A
SCHEMBL16666279 0.74 PSEN1 (0.47) PSEN1LMNAKMT2A
SCHEMBL16666281 0.74 PSEN1 (0.47) PSEN1LMNAKMT2A
SCHEMBL16666394 0.73 PTPN1 (0.39) PSEN1KMT2A
SCHEMBL16666396 0.73 PTPN1 (0.39) PSEN1KMT2A
SCHEMBL9690164 0.64 POLA1 (0.44) DNTTPOLA1POLBRAB9ATSHR

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 4 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
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
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
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