SCHEMBL14627873

SCHEMBL14627873

CC1(C)c2cc(C#Cc3ccc(O)cc3)ccc2-c2ccc(-c3ccc(O)cc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 2/20 0.43
▸ RARB P10826 2/20 0.43
▸ RARG P13631 2/20 0.43
▸ PDK2 Q15119 2/20 0.42
▸ APP P05067 3/20 0.39
▸ PDE4D Q08499 8/20 0.38
▸ MMP3 P08254 2/20 0.38
▸ ESR1 P03372 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ CYP26A1 O43174 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CRABP2 P29373 1/20 0.35
▸ ALOX5 P09917 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
SCHEMBL14627909 0.87 PDK2 (0.51) PDK2ESR1MEN1KMT2AALOX5
SCHEMBL16017840 0.87 PDK2 (0.51) PDK2ESR1MEN1KMT2AALOX5
SCHEMBL13526106 0.86 ACHE (0.42) RARARARBRARGAPPPDE4D
SCHEMBL14627892 0.81 ESR1 (0.40) RARARARBRARGPDK2APP
SCHEMBL16022361 0.79 PDK2 (0.44) PDK2ESR1MEN1KMT2ACYP3A4
SCHEMBL13700678 0.79 PDK2 (0.60) PDK2MMP3ESR1MEN1KMT2A
SCHEMBL21911147 0.76 ESR2 (0.61) PDK2APPESR1MEN1KMT2A
SCHEMBL26506713 0.76 PDK2 (0.51) PDK2MMP3
SCHEMBL13520254 0.75 PDK2 (0.34) RARARARBRARGPDK2CYP3A4
SCHEMBL12711690 0.73 ESR1 (0.65) APPMMP3ESR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007005289-A1 MONOMERS AND POLYMERS COMPRISING CONJUGATED GROUPS AND METHODS FOR MAKING THEREOF GENERAL ELECTRIC COMPANY (US) 2007-01-11 — — WO disclosed
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