SCHEMBL21387586

SCHEMBL21387586

C=CCN(CCCCCCCCCCCCC)C(=O)C(=C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 4/20 0.45
ZDHHC2 Q9UIJ5 2/20 0.45
FAAH O00519 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 4/20 0.39
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA9 Q16790 3/20 0.38
CA2 P00918 1/20 0.38
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
MGLL Q99685 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
SCHEMBL20274382 1.00 ZDHHC20 (0.45) ZDHHC20ZDHHC2FAAHALDH1A1TSHR
SCHEMBL8942370 0.98 ZDHHC20 (0.43) ZDHHC20ZDHHC2FAAHALDH1A1TSHR
SCHEMBL24063928 0.93 CA12 (0.41) ZDHHC20ZDHHC2FAAHALDH1A1TSHR
SCHEMBL20287509 0.87 ALDH1A1 (0.39) ZDHHC20ZDHHC2ALDH1A1
SCHEMBL20274377 0.87 ALDH1A1 (0.39) ZDHHC20ZDHHC2ALDH1A1
SCHEMBL375827 0.86 TSHR (0.46) ZDHHC20ZDHHC2TSHRCA12CA1
SCHEMBL4085872 0.86 TSHR (0.46) ZDHHC20ZDHHC2TSHRCA12CA1
SCHEMBL431375 0.86 TSHR (0.46) ZDHHC20ZDHHC2TSHRCA12CA1
SCHEMBL375647 0.86 TSHR (0.46) ZDHHC20ZDHHC2TSHRCA12CA1
SCHEMBL372624 0.86 TSHR (0.46) ZDHHC20ZDHHC2TSHRCA12CA1

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