SCHEMBL7735792

SCHEMBL7735792

COC(=O)CCc1ccc(OCC2CCCCC2)c(-c2ccc(OC)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
C5AR1 P21730 1/20 0.46
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.44
SRC P12931 3/20 0.43
CNR1 P21554 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ELANE P08246 1/20 0.42

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
SCHEMBL7735332 0.91 FFAR1 (0.51) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL7735726 0.91 C5AR1 (0.46) MEN1KMT2AC5AR1ALDH1A1SRC
SCHEMBL7725535 0.90 C5AR1 (0.57) MEN1KMT2AC5AR1ALDH1A1SRC
SCHEMBL3891214 0.89 C5AR1 (0.46) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL7725141 0.89 C5AR1 (0.55) MEN1KMT2AC5AR1ALDH1A1SRC
SCHEMBL3883881 0.88 C5AR1 (0.41) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL3892678 0.87 MEN1 (0.41) MEN1KMT2AC5AR1PARP15PARP10
SCHEMBL3887753 0.86 MEN1 (0.42) MEN1KMT2AC5AR1PARP15PARP10
SCHEMBL3883719 0.86 CCNC (0.48) MEN1KMT2AC5AR1SRCCYP1A2
SCHEMBL3681581 0.85 MEN1 (0.41) MEN1KMT2APDE4APDE4BPDE4C

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