SCHEMBL7735477

SCHEMBL7735477

CCOC(=O)CCc1cc(OC)c(OCC2CCCCC2)c(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 4/20 0.44
ALOX5 P09917 1/20 0.43
C5AR1 P21730 1/20 0.41
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
MGLL Q99685 1/20 0.40
ABCB1 P08183 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
GAA P10253 1/20 0.39
FKBP1A P62942 1/20 0.39
FABP4 P15090 1/20 0.39
POLB P06746 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
SCHEMBL7734903 0.89 THRA (0.57) ALDH1A1THRATHRBKMT2AALOX5
SCHEMBL7737493 0.81 THRB (0.48) ALDH1A1THRATHRBKMT2AC5AR1
SCHEMBL7725126 0.80 FDPS (0.47) ALDH1A1KMT2AALOX5MEN1ABCB1
SCHEMBL7725130 0.80 FDPS (0.47) ALDH1A1KMT2AALOX5MEN1ABCB1
SCHEMBL7725159 0.80 THRA (0.47) ALDH1A1THRATHRBKMT2AC5AR1
SCHEMBL8984887 0.78 CYP4F2 (0.46) ALDH1A1THRATHRBKMT2AC5AR1
SCHEMBL7733919 0.77 THRA (0.45) ALDH1A1THRATHRBKMT2AC5AR1
SCHEMBL7735292 0.77 C5AR1 (0.47) ALDH1A1THRATHRBKMT2AC5AR1
SCHEMBL3888471 0.77 ADRB2 (0.44) THRATHRBKMT2AC5AR1MEN1
SCHEMBL3682529 0.77 ALDH1A1 (0.43) ALDH1A1KMT2AALOX5MEN1ATM

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