SCHEMBL7593751

SCHEMBL7593751

C=COCCCCc1ccccc1CCCCOC=C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KCNA3 P22001 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL28177923 0.86 MGLL (0.47) THRATHRB
SCHEMBL1637659 0.83 FOLH1 (0.51) MAPTHTTCYP4F2CYP4A11
SCHEMBL7590883 0.82 IDO1 (0.48) LMNA
SCHEMBL26053132 0.81 MPO (0.46)
SCHEMBL2918971 0.75 IDO1 (0.55) MEN1KMT2ALMNA
SCHEMBL28472676 0.75 KAT8 (0.44) KDM4EMAPT
SCHEMBL28420231 0.75 ALDH1A1 (0.41) THRATHRBKDM4EALDH1A1LIPG
SCHEMBL64718 0.74 CDC25A (0.34) ALDH1A1
SCHEMBL27767541 0.74 CDC25A (0.34) ALDH1A1
SCHEMBL9353618 0.73 KCNA3 (0.64) THRBALDH1A1KCNA3

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-20020012878-A1 Mixture of binder compound that releases an acid, radiation absorber and crosslinker KODAK POLYCHROME GRAPHICS LLC 2002-01-31 US claimed