SCHEMBL9651201

SCHEMBL9651201

CCCCCCC(C)Oc1ccc(-c2ccc(C(=O)O)cc2)cc1Br

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.57
PDE4A P27815 3/20 0.54
PDE4B Q07343 3/20 0.54
PDE4C Q08493 3/20 0.54
PDE4D Q08499 3/20 0.54
RARB P10826 10/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RARA P10276 1/20 0.47
MAPT P10636 1/20 0.47
MTOR P42345 1/20 0.47
KMT2A Q03164 1/20 0.47
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
SRD5A2 P31213 1/20 0.43

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
SCHEMBL9647803 0.91 PTPN11 (0.46) PTPN11PDE4APDE4BPDE4CPDE4D
SCHEMBL9149323 0.86 PDE4A (0.54) PTPN11PDE4APDE4BPDE4CPDE4D
SCHEMBL8170024 0.86 PDE4A (0.54) PTPN11PDE4APDE4BPDE4CPDE4D
SCHEMBL8170027 0.86 PDE4A (0.54) PTPN11PDE4APDE4BPDE4CPDE4D
SCHEMBL9651231 0.83 ALDH1A1 (0.58) PTPN11PDE4APDE4BPDE4CPDE4D
SCHEMBL9649846 0.83 THRA (0.46) PTPN11PDE4APDE4BPDE4CPDE4D
SCHEMBL8181774 0.82 PDE4A (0.51) PTPN11PDE4APDE4BPDE4CPDE4D
SCHEMBL7169145 0.82 PDE4A (0.51) PTPN11PDE4APDE4BPDE4CPDE4D
SCHEMBL8176758 0.82 PDE4A (0.51) PTPN11PDE4APDE4BPDE4CPDE4D
SCHEMBL7169538 0.82 PDE4A (0.51) PTPN11PDE4APDE4BPDE4CPDE4D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0267670-B1 OPTICALLY ACTIVE LIQUID CRYSTAL COMPOUND HAVING CYANO GROUP Chisso Corporation (JP) 1992-12-23 EP disclosed
US-4886622-A Optically active liquid crystal compound having cyano group CHISSO CORPORATION (JP) 1989-12-12 US disclosed
EP-0267670-A1 Optically active liquid crystal compound having cyano group Chisso Corporation (JP) 1988-05-18 EP disclosed