SCHEMBL8618329

SCHEMBL8618329

OCc1ccc(OCCCCOc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.67
KCNA3 P22001 1/20 0.67
ALDH1A1 P00352 1/20 0.59
RECQL P46063 1/20 0.59
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
FFAR1 O14842 2/20 0.53
HRH3 Q9Y5N1 1/20 0.53
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
PKM P14618 1/20 0.50

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
SCHEMBL10269398 0.96 LTA4H (0.67) LTA4HKCNA3ALDH1A1RECQLFFAR1
SCHEMBL8390278 0.94 LTA4H (0.69) LTA4HKCNA3ALDH1A1RECQLFFAR1
SCHEMBL8545935 0.91 HRH3 (0.59) LTA4HKCNA3FFAR1HRH3L3MBTL1
SCHEMBL16902880 0.89 HRH3 (0.58) LTA4HKCNA3ALDH1A1HRH3L3MBTL1
SCHEMBL16902883 0.89 HRH3 (0.58) LTA4HKCNA3ALDH1A1HRH3L3MBTL1
SCHEMBL10710138 0.89 HRH3 (0.58) LTA4HKCNA3ALDH1A1HRH3L3MBTL1
SCHEMBL8369936 0.89 HRH3 (0.58) LTA4HKCNA3ALDH1A1HRH3L3MBTL1
SCHEMBL16902868 0.89 HRH3 (0.58) LTA4HKCNA3ALDH1A1HRH3L3MBTL1
SCHEMBL16902874 0.89 HRH3 (0.58) LTA4HKCNA3ALDH1A1HRH3L3MBTL1
SCHEMBL16902872 0.89 HRH3 (0.58) LTA4HKCNA3ALDH1A1HRH3L3MBTL1

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
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
EP-0741681-B1 PROCESS FOR PRODUCING 3-ARYL PROPINES AND NOVEL 3-ARYL PROPINES BAYER AG (DE) 1998-05-20 EP disclosed
EP-0741681-A1 PROCESS FOR PRODUCING 3-ARYL PROPINES AND NOVEL 3-ARYL PROPINES BAYER AG (DE) 1996-11-13 EP disclosed
WO-1995021144-A1 PROCESS FOR PRODUCING 3-ARYL PROPINES AND NOVEL 3-ARYL PROPINES BAYER AKTIENGESELLSCHAFT (DE) 1995-08-10 WO disclosed