SCHEMBL542218

SCHEMBL542218

Cc1cc2c(c(C)c1C)CCC(C)(C)O2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.40
CYP19A1 P11511 3/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 3/20 0.35
PKM P14618 1/20 0.35
POLB P06746 1/20 0.34
CTSB P07858 1/20 0.34
RAB9A P51151 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE5A O76074 1/20 0.33
HSP90AA1 P07900 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
SCHEMBL2122056 0.91 PKM (0.38) PDE4DCYP19A1KMT2AMEN1PKM
SCHEMBL9334838 0.84 PDE4D (0.37) PDE4DCYP19A1KMT2AMEN1PKM
SCHEMBL2481913 0.84 CTSB (0.39) PDE4DCYP19A1KMT2AMEN1POLB
SCHEMBL30440069 0.84 CTSB (0.39) PDE4DCYP19A1KMT2AMEN1POLB
SCHEMBL3830562 0.84 PDE4D (0.37) PDE4DCYP19A1KMT2AMEN1PKM
SCHEMBL8633979 0.81 ALDH1A1 (0.34)
SCHEMBL9334822 0.78 PDE4D (0.40) PDE4DCYP19A1KMT2AMEN1PKM
SCHEMBL5793490 0.77 HSP90AA1 (0.41) PDE4DKMT2AMEN1POLBCTSB
SCHEMBL9336845 0.77 PDE4D (0.33) PDE4DKMT2AMEN1RAB9APDE5A
SCHEMBL837194 0.74 HPGD (0.37) PDE4DKMT2AMEN1RAB9APTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459636-B1 ENCAPSULATED PHENOLIC ANTIOXIDANTS BASF SE (DE) 2016-01-27 EP disclosed
EP-2414319-B1 NICOTIANAMINE-DERIVED METALLOPHORE AND PROCESSES FOR PRODUCING SAME COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-07-01 EP disclosed
US-8580876-B2 Encapsulated phenolic antioxidants BASF SE (DE) 2013-11-12 US disclosed
US-20120129995-A1 ENCAPSULATED PHENOLIC ANTIOXIDANTS BASF SE (DE) 2012-05-24 US disclosed
EP-2414319-A1 NICOTIANAMINE-DERIVED METALLOPHORE AND PROCESSES FOR PRODUCING SAME Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2012-02-08 EP disclosed
WO-2011012631-A1 ENCAPSULATED PHENOLIC ANTIOXIDANTS BASF SE (DE) 2011-02-03 WO disclosed
WO-2010112697-A1 NICOTIANAMINE-DERIVED METALLOPHORE AND PROCESSES FOR PRODUCING SAME COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2010-10-07 WO disclosed