SCHEMBL6288038

SCHEMBL6288038

C=C(C)COc1ccc(Oc2ccc(OCC(=C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 1/20 0.53
LTA4H P09960 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
IDE P14735 1/20 0.43
MAPK1 P28482 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
SCHEMBL10338925 0.93 GPR174 (0.58) GPR174SMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL7438279 0.92 GPR174 (0.59) GPR174LTA4HSMN1; SMN2POLBL3MBTL1
SCHEMBL9501214 0.87 GPR174 (0.44) GPR174LTA4HSMN1; SMN2CHRNB2CHRNB4
SCHEMBL5931918 0.86 GPR174 (0.53) GPR174SMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL8161826 0.84 WDR5 (0.57) GPR174CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8388308 0.84 GPR174 (0.51) GPR174LTA4HSMN1; SMN2KMT2AMEN1
SCHEMBL1072731 0.84 GPR174 (0.51) GPR174ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL9983332 0.83 GPR174 (0.50) GPR174SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL10912649 0.83 ALDH1A1 (0.50) GPR174SMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL10479216 0.83 TDP1 (0.54) GPR174SMN1; SMN2CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960553-B2 Heat-sensitive recording material MITSUBISHI PAPER MILLS LTD. (JP) 2005-11-01 US disclosed
US-20030186810-A1 Heat-sensitive recording material MITSUBISHI PAPER MILLS LTD. 2003-10-02 US disclosed