SCHEMBL20034149

SCHEMBL20034149

C=C(C)C(=O)OCCOC(=O)CNCC1CCCC(CNC(=O)OCCOC(=O)C(=C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
EPHX1 P07099 1/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.31
NAAA Q02083 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL19847478 0.95 TSHR (0.39) EPHX1TSHRNAAAKDM4EPOLB
SCHEMBL8738483 0.91 THRB (0.41) THRBEPHX1TSHRALDH1A1NPC1
SCHEMBL21671197 0.91 THRB (0.41) THRBEPHX1TSHRALDH1A1NPC1
SCHEMBL18123481 0.88 THRB (0.45) THRBEPHX1TSHRALDH1A1NPC1
SCHEMBL14048840 0.88 THRB (0.39) THRBEPHX1TSHRALDH1A1NPC1
SCHEMBL18123480 0.88 TSHR (0.44) THRBEPHX1TSHRNAAAPOLB
SCHEMBL8738995 0.88 TSHR (0.41) THRBEPHX1TSHRALDH1A1NPC1
SCHEMBL8738965 0.86 TSHR (0.42) THRBEPHX1TSHRALDH1A1NPC1
SCHEMBL18123478 0.86 TSHR (0.45) THRBEPHX1TSHRNAAAPOLB
SCHEMBL24089237 0.86 THRB (0.43) THRBEPHX1TSHRALDH1A1NAAA

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
US-9937105-B2 High strength dental material DENTSPLY SIRONA INC. (US) 2018-04-10 US disclosed