SCHEMBL677566

SCHEMBL677566

C=CCC(CC=C)(c1ccccc1O)c1ccccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
ACHE P22303 3/20 0.39
HTT P42858 1/20 0.38
MAPT P10636 3/20 0.36
CA2 P00918 3/20 0.36
CA4 P22748 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CA12 O43570 2/20 0.36
HSP90AA1 P07900 1/20 0.36
NPC1 O15118 1/20 0.36
GMNN O75496 1/20 0.36
EGFR P00533 1/20 0.36
LMNA P02545 1/20 0.36
FYN P06241 1/20 0.36
POLB P06746 1/20 0.36
CA3 P07451 1/20 0.36
CYP3A4 P08684 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL13656366 0.82 ALDH1A1 (0.43) ALDH1A1TSHRTDP1ACHEHTT
SCHEMBL11437771 0.80 ALDH1A1 (0.52) ALDH1A1TSHRTDP1ACHEHTT
SCHEMBL11487730 0.80 ALDH1A1 (0.42) ALDH1A1TSHRTDP1ACHEHTT
SCHEMBL5690395 0.80 ALDH1A1 (0.42) ALDH1A1TSHRTDP1ACHEHTT
SCHEMBL11778379 0.77 ALDH1A1 (0.39) ALDH1A1TSHRTDP1ACHEHTT
SCHEMBL9286623 0.77 ALDH1A1 (0.47) ALDH1A1TSHRTDP1ACHEHTT
SCHEMBL1035976 0.73 ALDH1A1 (0.47) ALDH1A1TSHRTDP1ACHEHTT
SCHEMBL7530494 0.73 ACHE (0.36) ALDH1A1TSHRTDP1ACHEHTT
SCHEMBL11883896 0.73 ALDH1A1 (0.36) ALDH1A1TSHRTDP1ACHEHTT
SCHEMBL11297258 0.72 KEAP1 (0.39) ALDH1A1TSHRTDP1ACHEMAPT

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-20110062424-A1 POLYMER COMPOSITIONS COMPRISING ADDITIVE BLOCK COPOLYMERS NITTO DENKO CORPORATION (JP) 2011-03-17 US disclosed