SCHEMBL7733973

SCHEMBL7733973

CCCCOc1c(OC)cc(C(=O)CCC(=O)OC)cc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.49
THRB P10828 2/20 0.49
SLC6A5 Q9Y345 4/20 0.47
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BRD4 O60885 1/20 0.40
LMNA P02545 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PDE4B Q07343 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 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
SCHEMBL7735407 0.83 TRPV1 (0.43) SLC6A5HPGD
SCHEMBL7737426 0.78 KMT2A (0.50) THRATHRBKMT2AMEN1ALDH1A1
SCHEMBL7725105 0.76 FFAR4 (0.46) THRATHRBSLC6A5SMN1; SMN2LMNA
SCHEMBL16233225 0.73 SLC6A5 (0.54) SLC6A5ALDH1A1SMN1; SMN2
SCHEMBL7737564 0.72 PTPN1 (0.45) THRATHRBKMT2AKDM4EMEN1
SCHEMBL7734098 0.72 LTB4R (0.40) THRATHRBKDM4EHDAC8
SCHEMBL8431883 0.71 SLC6A5 (0.55) SLC6A5KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL9676577 0.71 BPTF (0.48) THRATHRBSLC6A5KMT2AKDM4E
SCHEMBL29287207 0.71 THRA (0.56) THRATHRBHPGDSMN1; SMN2PDE4B
SCHEMBL5989205 0.71 HDAC8 (0.52) KMT2AKDM4EMEN1ALDH1A1MAPT

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
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