SCHEMBL7735387

SCHEMBL7735387

CCCCOc1c(NC=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
HDAC8 Q9BY41 3/20 0.40
FFAR4 Q5NUL3 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HDAC3 O15379 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRA1A P35348 1/20 0.38
HDAC4 P56524 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
S1PR1 P21453 6/20 0.38

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
SCHEMBL7734892 0.92 HDAC8 (0.39) HDAC8KDM4ESMN1; SMN2ALDH1A1CNR2
SCHEMBL7735232 0.86 THRA (0.41) THRATHRBHDAC8FFAR4KDM4E
SCHEMBL7734916 0.84 NR3C1 (0.44) THRATHRBFFAR4KDM4EALDH1A1
SCHEMBL7733974 0.81 THRA (0.47) THRATHRBHDAC8FFAR4KDM4E
SCHEMBL7725105 0.81 FFAR4 (0.46) THRATHRBHDAC8FFAR4HDAC3
SCHEMBL7734873 0.79 THRA (0.46) THRATHRBFFAR4KDM4EFFAR1
SCHEMBL7725078 0.78 GABRA1 (0.40) HDAC8CNR2PPARGPPARASOAT1
SCHEMBL7734073 0.78 ALDH1A1 (0.43) THRATHRBHDAC8FFAR4HDAC3
SCHEMBL7735362 0.77 PTPN1 (0.39) HDAC8KDM4ESMN1; SMN2ALDH1A1CNR2
SCHEMBL7724925 0.75 THRA (0.52) THRATHRBHDAC8FFAR4KDM4E

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