SCHEMBL7734075

SCHEMBL7734075

COC(=O)CCCc1ccc(OCC2CCCCC2)c(-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 3/20 0.52
PTPN1 P18031 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MGLL Q99685 2/20 0.40
DHODH Q02127 1/20 0.40
SRC P12931 2/20 0.39
EPHX2 P34913 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
SCHEMBL7734891 0.99 C5AR1 (0.51) C5AR1PTPN1MEN1KMT2AMGLL
SCHEMBL7725535 0.94 C5AR1 (0.57) C5AR1PTPN1MEN1KMT2AMGLL
SCHEMBL7725141 0.93 C5AR1 (0.55) C5AR1PTPN1MEN1KMT2AMGLL
SCHEMBL8984882 0.92 MEN1 (0.47) C5AR1MEN1KMT2ASRC
SCHEMBL7734859 0.89 C5AR1 (0.51) C5AR1EPHX2
SCHEMBL3687582 0.88 CCNC (0.44) C5AR1PTPN1MEN1KMT2ASRC
SCHEMBL7734106 0.88 C5AR1 (0.49) C5AR1
SCHEMBL9357889 0.87 MEN1 (0.43) C5AR1MEN1KMT2ASRC
SCHEMBL7733983 0.85 PTPN1 (0.46) PTPN1EPHX2
SCHEMBL1013811 0.85 THRA (0.54) C5AR1MEN1KMT2A

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