SCHEMBL799415

SCHEMBL799415

C=CC(=O)N(CCCC)C(C)CC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 3/20 0.41
ZDHHC2 Q9UIJ5 2/20 0.41
TSHR P16473 3/20 0.36
HPGD P15428 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
EPHX2 P34913 1/20 0.33
FAAH O00519 2/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL21075812 0.89 TSHR (0.37) ZDHHC20ZDHHC2TSHRALDH1A1
SCHEMBL28032429 0.84 ZDHHC20 (0.41) ZDHHC20ZDHHC2TSHRHPGDALDH1A1
SCHEMBL27965429 0.81 TSHR (0.39) ZDHHC20ZDHHC2TSHRALDH1A1
SCHEMBL498289 0.79 CA1 (0.36) ALDH1A1CA12CA1CA9EPHX2
SCHEMBL9405112 0.79 TSHR (0.38) ZDHHC20ZDHHC2TSHRALDH1A1
SCHEMBL21869739 0.79 PSMB5 (0.30)
SCHEMBL28073684 0.79 ZDHHC20 (0.51) ZDHHC20ZDHHC2TSHRHPGDALDH1A1
SCHEMBL15280053 0.78 MMP1 (0.40) ZDHHC20ZDHHC2TSHRHPGDMMP1
SCHEMBL5207988 0.78 CA1 (0.35) ALDH1A1CA12CA1CA9EPHX2
SCHEMBL8946784 0.77 ZDHHC20 (0.40) ZDHHC20ZDHHC2TSHRHPGDALDH1A1

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-8672466-B2 Ink composition, ink set and image forming method FUJIFILM CORPORATION (JP) 2014-03-18 US disclosed
US-20120069084-A1 INK COMPOSITION, INK SET AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2012-03-22 US disclosed