SCHEMBL9779461

SCHEMBL9779461

C=Cc1ccccc1C(C)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.42
LTA4H P09960 1/20 0.41
DPP4 P27487 1/20 0.40
TSHR P16473 4/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
P4HB P07237 2/20 0.38
SMAD3 P84022 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
GRM5 P41594 1/20 0.35
LMNA P02545 1/20 0.35
KCNH2 Q12809 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
SCHEMBL1903551 0.85 CYP2D6 (0.40) KCNA5LTA4HTSHRALDH1A1CYP3A4
SCHEMBL9779106 0.84 CYP2D6 (0.39) KCNA5LTA4HTSHRALDH1A1CYP3A4
SCHEMBL10628552 0.77 DPP4 (0.38) KCNA5DPP4TSHRALDH1A1CYP3A4
SCHEMBL12248160 0.77 KCNA5 (0.46) KCNA5LTA4HDPP4TSHRALDH1A1
SCHEMBL7745378 0.76 DPP4 (0.46) KCNA5LTA4HDPP4TSHRALDH1A1
SCHEMBL4105367 0.76 DPP4 (0.62) KCNA5LTA4HDPP4TSHRALDH1A1
SCHEMBL13553401 0.74 P4HB (0.52) KCNA5TSHRALDH1A1CYP3A4CYP2C19
SCHEMBL22711434 0.72 DPP4 (0.47) KCNA5LTA4HDPP4TSHRALDH1A1
SCHEMBL10628568 0.72 ADRB2 (0.38) KCNA5LTA4HDPP4TSHRALDH1A1
SCHEMBL16849214 0.71 KCNA5 (0.44) KCNA5LTA4HDPP4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473621-B Modifier, modified conjugated diene polymer and preparation method thereof 株式会社LG化学 2021-01-12 CN claimed
CN-108473621-B Modifier, modified conjugated diene polymer and preparation method thereof 株式会社LG化学 2021-01-12 CN disclosed
US-5015551-A Resin particles dispersed in a dielectric nonaqueous solvent for making printing plates or sheets FUJI PHOTO FILM CO., LTD. (JP) 1991-05-14 US disclosed
US-4473630-A Liquid developer comprising aminoalkyl styrene polymer for electrostatic images FUJI PHOTO FILM CO., LTD. (JP) 1984-09-25 US disclosed