SCHEMBL18917571

SCHEMBL18917571

O=C(O)c1ccc2cc(CCCCCCO)ccc2c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.64
GRIN2A Q12879 1/20 0.64
GRIN2B Q13224 1/20 0.64
GRIN2C Q14957 1/20 0.64
DHODH Q02127 3/20 0.56
RARB P10826 7/20 0.48
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
CYP1A2 P05177 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RARA P10276 1/20 0.46
MAPT P10636 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
TBXAS1 P24557 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL9320803 0.95 GRIN2D (0.58) GRIN2DGRIN2AGRIN2BGRIN2CDHODH
1,4-Butanediol SCHEMBL9127352 0.86 KDM4E (0.55) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL8303752 0.86 GRIN2D (0.67) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL2403600 0.86 GRIN2D (0.67) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL7331987 0.86 GRIN2D (0.67) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL7342564 0.86 GRIN2D (0.67) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL10080509 0.85 GRIN2D (0.66) GRIN2DGRIN2AGRIN2BGRIN2CDHODH
Hydrochloric Acid SCHEMBL10716592 0.84 GRIN2D (0.65) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL10081274 0.84 GRIN2D (0.68) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL1561875 0.83 RARB (0.64) RARBCYP4F2CYP4A11MEN1ALDH1A1

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-9896530-B2 Copolymer, coloring material dispersion, ink, and ink store container RICOH COMPANY, LTD. (JP) 2018-02-20 US disclosed
US-20170158794-A1 COPOLYMER, COLORING MATERIAL DISPERSION, INK, AND INK STORE CONTAINER RICOH COMPANY, LTD. (JP) 2017-06-08 US disclosed