SCHEMBL7532

SCHEMBL7532

CCOC(=O)CC1(c2ccc(-c3ccc(-c4onc(C)c4N(C)CCCc4ccc(OC)cc4)cc3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.35
BRD4 O60885 1/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 3/20 0.33
CHRM1 P11229 2/20 0.33
KMT2A Q03164 2/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC6A9 P48067 1/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL6973 0.95 BRD4 (0.36) ALOX5BRD4MAPTLMNANPC1
SCHEMBL6445 0.92 CHRM1 (0.36) ALOX5MAPTLMNANPC1POLB
SCHEMBL6613 0.91 FFAR4 (0.35) ALOX5LMNANPC1POLBCHRM1
SCHEMBL1800 0.88 CHRM1 (0.41) ALOX5BRD4MAPTLMNANPC1
SCHEMBL7026 0.86 AOC3 (0.37) ALOX5LMNANPC1POLBCHRM1
SCHEMBL7572 0.85 SLC26A6 (0.36) ALOX5BRD4LMNAHTTPOLB
SCHEMBL6765 0.85 BRD4 (0.33) ALOX5BRD4LMNAKMT2AMEN1
SCHEMBL1127 0.84 LPAR1 (0.43) ALOX5NPC1POLBCHRM1KMT2A
SCHEMBL6153 0.84 GAA (0.36) ALOX5BRD4MAPTCYP2C9GAA
SCHEMBL6236 0.83 GAA (0.34) BRD4CYP2C9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed