SCHEMBL7725535

SCHEMBL7725535

COC(=O)CCc1ccc(OCC2CCCCC2)c(-c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 3/20 0.57
PTPN1 P18031 2/20 0.51
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
MGLL Q99685 1/20 0.41
DHODH Q02127 1/20 0.41
SRC P12931 3/20 0.41
PTGER1 P34995 3/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HRH3 Q9Y5N1 1/20 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
SCHEMBL7725141 0.99 C5AR1 (0.55) C5AR1PTPN1MEN1KMT2ATHRA
SCHEMBL7734075 0.94 C5AR1 (0.52) C5AR1PTPN1MEN1KMT2AMGLL
SCHEMBL7734891 0.93 C5AR1 (0.51) C5AR1PTPN1MEN1KMT2AMGLL
SCHEMBL7735726 0.91 C5AR1 (0.46) C5AR1PTPN1MEN1KMT2ATHRA
SCHEMBL7735792 0.90 MEN1 (0.47) C5AR1MEN1KMT2ASRCALDH1A1
SCHEMBL1013811 0.89 THRA (0.54) C5AR1MEN1KMT2ATHRATHRB
SCHEMBL3891214 0.88 C5AR1 (0.46) C5AR1PTPN1MEN1KMT2ATHRA
SCHEMBL3883719 0.88 CCNC (0.48) C5AR1PTPN1MEN1KMT2ASRC
SCHEMBL7725119 0.88 THRA (0.52) C5AR1THRATHRBPTGER1
SCHEMBL7724931 0.87 C5AR1 (0.56) C5AR1MEN1KMT2ATHRATHRB

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