SCHEMBL21387572

SCHEMBL21387572

C=CCN(CCCCCC)C(=C)C=C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 4/20 0.45
ZDHHC2 Q9UIJ5 2/20 0.45
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
CA2 P00918 1/20 0.41
TSHR P16473 3/20 0.39
MGLL Q99685 1/20 0.38
FAAH O00519 1/20 0.36
DNM1 Q05193 3/20 0.35
ALDH1A1 P00352 3/20 0.34
THRA P10827 3/20 0.33
THRB P10828 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GBA1 P04062 1/20 0.32
ALDH2 P05091 1/20 0.31

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
SCHEMBL21387551 1.00 ZDHHC20 (0.45) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL11585047 0.98 ZDHHC20 (0.42) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL20274383 0.80 ZDHHC20 (0.64) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL20267844 0.80 ZDHHC20 (0.64) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL18431521 0.80 ZDHHC20 (0.64) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL20274373 0.80 ZDHHC20 (0.64) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL611182 0.80 CA12 (0.41) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL8393428 0.78 CA12 (0.50) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL8393427 0.78 CA12 (0.50) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL1076719 0.78 ZDHHC20 (0.61) ZDHHC20ZDHHC2CA12CA1CA9

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
EP-3542779-A1 DENTAL COMPOSITION Dentsply DeTrey GmbH (DE) 2019-09-25 EP disclosed