SCHEMBL7735167

SCHEMBL7735167

COC(=O)CCc1cc(-c2ccccc2)c(OCC2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.44
THRB P10828 2/20 0.44
PTPN1 P18031 2/20 0.41
C5AR1 P21730 1/20 0.40
PDCD1 Q15116 4/20 0.38
CD274 Q9NZQ7 4/20 0.38
CYP19A1 P11511 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MCL1 Q07820 1/20 0.37
BCL2A1 Q16548 1/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CNR2 P34972 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MGLL Q99685 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35

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
SCHEMBL3884514 0.90 CCNC (0.43) THRATHRBPTPN1CYP19A1ALDH1A1
SCHEMBL7737493 0.85 THRB (0.48) THRATHRBPTPN1C5AR1ALDH1A1
SCHEMBL7725159 0.85 THRA (0.47) THRATHRBPTPN1C5AR1ALDH1A1
SCHEMBL3882371 0.84 THRA (0.36) THRATHRBCYP19A1ALDH1A1
SCHEMBL3884481 0.83 CHRNA7 (0.37) THRATHRB
SCHEMBL7725103 0.83 THRA (0.44) THRATHRBPTPN1C5AR1CYP19A1
SCHEMBL3688206 0.82 THRA (0.57) THRATHRBCYP19A1ALDH1A1MEN1
SCHEMBL7735292 0.82 C5AR1 (0.47) THRATHRBPTPN1C5AR1ALDH1A1
SCHEMBL7733919 0.82 THRA (0.45) THRATHRBPTPN1C5AR1ALDH1A1
SCHEMBL7737488 0.82 PTPN1 (0.44) THRATHRBPTPN1PDCD1CD274

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