SCHEMBL3810658

SCHEMBL3810658

O=C(CCCCc1ccccc1)OC1C=Cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ALOX5 P09917 3/20 0.41
EPHX1 P07099 1/20 0.41
LTB4R Q15722 4/20 0.40

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
SCHEMBL28353564 0.83 NAAA (0.42) CES1
SCHEMBL21903818 0.83 NAAA (0.42) CES1
SCHEMBL28961922 0.83 NAAA (0.42) CES1
SCHEMBL8697661 0.82 KDM4E (0.40) MAPK1SMN1; SMN2CES1
Acetic Acid SCHEMBL29234156 0.82 NAAA (0.40) CES1
SCHEMBL31072332 0.77 KDM4E (0.35) MAPTHDAC4SLC6A3
SCHEMBL31072333 0.77 KDM4E (0.35) MAPTHDAC4SLC6A3
SCHEMBL28769795 0.77 POLB (0.36) MAPTSMN1; SMN2
SCHEMBL6273664 0.76 RET (0.39) MAPTMAPK1SMN1; SMN2
SCHEMBL27575564 0.75 KMT2A (0.38) MAPTRXFP1HDAC1HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010141696-A1 METHODS OF TREATING OR PREVENTING PSORIASIS, AND/OR ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. (US) 2010-12-09 WO disclosed