SCHEMBL14798680

SCHEMBL14798680

C=CC(=O)OCC(O)CN(c1ccccc1)c1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
KDM4E B2RXH2 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 2/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 3/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ADRB2 P07550 3/20 0.35
ADRB1 P08588 3/20 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
SCHEMBL7058412 0.86 KDM4E (0.41) KDM4EL3MBTL1POLBAPOBEC3AAPOBEC3G
SCHEMBL7058408 0.82 KDM4E (0.39) KDM4EL3MBTL1POLBAPOBEC3AAPOBEC3G
SCHEMBL14409179 0.80 TSHR (0.42) THRBKDM4EL3MBTL1TSHRADRB2
SCHEMBL14409178 0.78 THRB (0.40) THRBPOLBALDH1A1TSHRCYP3A4
SCHEMBL13051006 0.72 THRB (0.54) THRBPOLBHSD17B10ALDH1A1KMT2A
SCHEMBL1637392 0.72 THRB (0.47) THRBPOLBTSHRCYP1A2ADRB2
SCHEMBL13135913 0.71 ALDH1A1 (0.60) THRBALDH1A1MEN1KMT2ATSHR
SCHEMBL35254 0.71 THRB (0.62) THRBKDM4EL3MBTL1POLBMEN1
SCHEMBL27509237 0.70 ALDH1A1 (0.46) KDM4EL3MBTL1ALDH1A1TSHRMAPT
SCHEMBL10061317 0.70 THRB (0.49) THRBTSHRTDP1ADRB2ADRB1

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-20130075142-A1 ADHESIVE COMPOSITION, USE THEREOF, CONNECTION STRUCTURE FOR CIRCUIT MEMBERS, AND METHOD FOR PRODUCING SAME HITACHI CHEMICAL CO., LTD. (JP) 2013-03-28 US disclosed