SCHEMBL7735232

SCHEMBL7735232

CCCCOc1c(NC(C)=O)cc(CCCC(=O)O)cc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
SOAT1 P35610 2/20 0.40
HDAC1 Q13547 3/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC3 O15379 1/20 0.39
MAPK1 P28482 1/20 0.39
ADRA1A P35348 1/20 0.39
HDAC4 P56524 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL7733974 0.95 THRA (0.47) THRATHRBGABRA1GABRB2FFAR4
SCHEMBL7725078 0.92 GABRA1 (0.40) GABRA1GABRB2SOAT1HDAC8CNR2
SCHEMBL7735387 0.86 THRA (0.41) THRATHRBFFAR4SOAT1HDAC1
SCHEMBL7734916 0.85 NR3C1 (0.44) THRATHRBFFAR4KDM4EALDH1A1
SCHEMBL7725105 0.81 FFAR4 (0.46) THRATHRBFFAR4HDAC1HDAC8
SCHEMBL7734873 0.80 THRA (0.46) THRATHRBFFAR4L3MBTL1KDM4E
SCHEMBL7734073 0.79 ALDH1A1 (0.43) THRATHRBFFAR4HDAC1HDAC8
SCHEMBL7734892 0.78 HDAC8 (0.39) SOAT1HDAC8SMN1; SMN2CNR2CNR1
SCHEMBL7735362 0.78 PTPN1 (0.39) HDAC8SMN1; SMN2CNR2CNR1KDM4E
SCHEMBL7724925 0.76 THRA (0.52) THRATHRBFFAR4HDAC1HDAC8

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-6376546-B1 ANTIALLERGENS ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-04-23 US claimed
EP-1024130-A1 BIPHENYL-5-ALKANOIC ACID DERIVATIVES AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-08-02 EP claimed
US-6376546-B1 ANTIALLERGENS ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-04-23 US disclosed
EP-1024130-A1 BIPHENYL-5-ALKANOIC ACID DERIVATIVES AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-08-02 EP disclosed