SCHEMBL15544740

SCHEMBL15544740

CC(C)(C)CCOC(=O)c1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.67
LMNA P02545 6/20 0.63
ALDH1A1 P00352 6/20 0.57
TDP1 Q9NUW8 3/20 0.56
KMT2A Q03164 5/20 0.56
GAA P10253 1/20 0.53
MAPT P10636 4/20 0.53
MEN1 O00255 2/20 0.53
HPGD P15428 1/20 0.53
KDM4E B2RXH2 1/20 0.52
THRB P10828 1/20 0.52
MAPK1 P28482 1/20 0.51
USP2 O75604 1/20 0.51
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.50
CYP3A4 P08684 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL21677887 0.88 L3MBTL1 (0.63) L3MBTL1LMNAALDH1A1TDP1KMT2A
SCHEMBL25009812 0.85 L3MBTL1 (0.76) L3MBTL1LMNAALDH1A1TDP1KMT2A
SCHEMBL30556174 0.85 L3MBTL1 (0.76) L3MBTL1LMNAALDH1A1TDP1KMT2A
SCHEMBL11395284 0.84 L3MBTL1 (0.61) L3MBTL1LMNAALDH1A1TDP1KMT2A
SCHEMBL382067 0.83 L3MBTL1 (0.82) L3MBTL1LMNAALDH1A1TDP1KMT2A
SCHEMBL21243071 0.82 LMNA (0.82) L3MBTL1LMNAALDH1A1TDP1KMT2A
SCHEMBL25009811 0.82 L3MBTL1 (0.82) L3MBTL1LMNAALDH1A1TDP1KMT2A
SCHEMBL5353549 0.81 L3MBTL1 (0.70) L3MBTL1LMNAALDH1A1TDP1KMT2A
Hydrochloric Acid SCHEMBL28859518 0.81 L3MBTL1 (0.80) L3MBTL1LMNAALDH1A1TDP1KMT2A
SCHEMBL5363062 0.81 L3MBTL1 (0.70) L3MBTL1LMNAALDH1A1TDP1KMT2A

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-2885307-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2015-06-24 EP claimed
CN-104428305-A 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin d2 receptor modulators ACTELION PHARMACEUTICALS LTD 2015-03-18 CN claimed
WO-2014006585-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-09 WO claimed
CN-104428305-A 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin d2 receptor modulators ACTELION PHARMACEUTICALS LTD 2015-03-18 CN disclosed