SCHEMBL12374325

SCHEMBL12374325

CCCCOc1cc(C)c(C2(c3cc(OCCCC)c(OCCCC)cc3C)c3cc(C)ccc3-c3ccc(C)cc32)cc1OCCCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 6/20 0.36
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 3/20 0.36
PDK2 Q15119 3/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
TTR P02766 1/20 0.35
CYP2C8 P10632 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA1A P35348 1/20 0.35
PPARG P37231 1/20 0.35
HTR2B P41595 1/20 0.35
PPARA Q07869 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLCO1B3 Q9NPD5 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
SCHEMBL14330035 0.83 MAPT (0.37) ALDH1A1TDP1KDM4EMAPTGAA
SCHEMBL12374326 0.83 PDK2 (0.44) ALDH1A1MAPTGAATHRBPDK2
SCHEMBL12374330 0.81 ESR1 (0.41) ALDH1A1TDP1KDM4EMAPTGAA
SCHEMBL12924693 0.80 MAPT (0.42) ALDH1A1TDP1MAPTGAANPSR1
SCHEMBL12924699 0.80 MAPT (0.42) ALDH1A1TDP1MAPTGAANPSR1
SCHEMBL14330048 0.79 L3MBTL1 (0.36) ALDH1A1TDP1KDM4EMAPTGAA
SCHEMBL13752328 0.77 CNR2 (0.40) ALDH1A1KDM4EMAPTGAANPSR1
SCHEMBL12374343 0.77 PDK2 (0.43) ALDH1A1MAPTGAAPDK2CYP1A2
SCHEMBL12924685 0.76 ESR1 (0.43) ALDH1A1KDM4EMAPTGAANPSR1
SCHEMBL12924691 0.76 ESR1 (0.43) ALDH1A1KDM4EMAPTGAANPSR1

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
US-20110187266-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-04 US disclosed