SCHEMBL6132290

SCHEMBL6132290

Oc1ccccc1C1OCC2(CO1)COC(c1ccccc1O)OC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
CYP2C19 P33261 1/20 0.53
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
AR P10275 1/20 0.36
HSD11B1 P28845 1/20 0.36
AKR1C3 P42330 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
CA12 O43570 1/20 0.35
GMNN O75496 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
SCHEMBL2048903 0.81 HTR2A (0.44) KMT2AMEN1CYP2C19HTR2AHTR2C
SCHEMBL9826763 0.78 HTR2A (0.42) KMT2AMEN1CYP2C19HTR2AHTR2C
SCHEMBL1374931 0.78 MEN1 (0.43) KMT2AMEN1CYP2C19HTR2AHTR2C
SCHEMBL3957434 0.74 AR (0.41) KMT2AMEN1HTR2AHTR2CHTR2B
SCHEMBL14606501 0.74 SOAT1 (0.37) HTR2AHTR2CHTR2BALOX12HTT
SCHEMBL10742449 0.74 HSD17B10 (0.44) KMT2AMEN1CYP2C19HTR2AHTR2C
SCHEMBL1728504 0.73 ALDH1A1 (0.45) KMT2AMEN1CYP2C19HTR2AHTR2C
SCHEMBL11132969 0.71 HTR2A (0.39) KMT2AMEN1CYP2C19HTR2AHTR2C
SCHEMBL237581 0.70 AR (0.47) KMT2AMEN1CYP2C19HTR2AHTR2C
SCHEMBL3072102 0.70 HTR2A (0.46) KMT2AMEN1CYP2C19HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050175850-A1 Flexible metal laminate and heat-resistant adhesive composition TOMOEGAWA PAPER CO., LTD (JP) 2005-08-11 US disclosed
US-5087766-A Reacting phenol with allyl halide; claisen rearrangement MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1992-02-11 US disclosed
EP-0394949-A2 Process for producing allylsubstituted phenol compound and the product MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1990-10-31 EP disclosed