SCHEMBL16600063

SCHEMBL16600063

C=C(C)C(=O)OCC(O)CNCCCCCCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
ANPEP P15144 1/20 0.40
ERAP2 Q6P179 1/20 0.40
KDM4E B2RXH2 1/20 0.40
DUSP3 P51452 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
FAAH O00519 1/20 0.38
TOP2A P11388 1/20 0.36
LPAR6 P43657 1/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR4 Q99677 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
LPAR2 Q9HBW0 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
ENPP2 Q13822 1/20 0.36
EPHX1 P07099 3/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36

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
SCHEMBL21300657 1.00 TSHR (0.51) TSHRANPEPERAP2KDM4EDUSP3
SCHEMBL16599972 1.00 TSHR (0.51) TSHRANPEPERAP2KDM4EDUSP3
SCHEMBL8423288 0.94 TSHR (0.46) TSHRKDM4EDUSP3MEN1KMT2A
SCHEMBL16407297 0.88 TSHR (0.49) TSHRKDM4EMEN1KMT2ALMNA
SCHEMBL21300693 0.86 TSHR (0.42) TSHR
SCHEMBL22016787 0.84 TSHR (0.45) TSHRKDM4E
SCHEMBL27054834 0.84 TSHR (0.47) TSHRANPEPKDM4E
SCHEMBL19523486 0.83 TSHR (0.44) TSHRKDM4E
SCHEMBL9706996 0.82 TSHR (0.49) TSHRKDM4E
SCHEMBL5280138 0.82 TSHR (0.49) TSHRKDM4E

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-20160289462-A1 Polymers for Making Superhydrophobic Surfaces AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-10-06 US disclosed
WO-2015047196-A1 POLYMERS FOR MAKING SUPERHYDROPHOBIC SURFACES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-04-02 WO disclosed