SCHEMBL14916019

SCHEMBL14916019

C=C(C(=O)OCCCC)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.42
NAAA Q02083 3/20 0.41
EPHX1 P07099 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 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
SCHEMBL14913823 0.93 TSHR (0.61) TSHRALDH1A1NAAAEPHX1HCAR2
SCHEMBL9009691 0.91 TSHR (0.46) TSHRALDH1A1HPGDATMNAAA
SCHEMBL29117601 0.91 TSHR (0.46) TSHRALDH1A1HPGDATMNAAA
SCHEMBL14913895 0.89 TSHR (0.40) TSHRALDH1A1HCAR2SMN1; SMN2GAA
SCHEMBL9468404 0.85 TSHR (0.56) TSHRNAAAEPHX1SMN1; SMN2MAPK1
SCHEMBL704247 0.84 TSHR (0.42) TSHRALDH1A1HPGDATMNAAA
SCHEMBL48561 0.84 TSHR (0.58) TSHRALDH1A1HPGDATMNAAA
SCHEMBL11869873 0.83 TSHR (0.45) TSHRALDH1A1HPGDATMNAAA
SCHEMBL27980846 0.81 TSHR (0.38) TSHRALDH1A1NAAAEPHX1HCAR2
SCHEMBL11101594 0.81 ALDH1A1 (0.48) TSHRALDH1A1HPGDATMNAAA

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-9290672-B2 Ink composition and ink jet recording method SEIKO EPSON CORPORATION (JP) 2016-03-22 US disclosed
US-20130115431-A1 INK COMPOSITION, INK JET RECORDING METHOD, AND RECORDED MATTER SEIKO EPSON CORPORATION (JP) 2013-05-09 US disclosed