SCHEMBL17484386

SCHEMBL17484386

C=C(C)C(=O)Oc1ccc(CCc2ccc(-c3ccc(CCC(CO)CO)cc3CC)c(C)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.34
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
THRB P10828 2/20 0.32
AKT1 P31749 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
SCHEMBL20412535 0.89 ELANE (0.33) ELANEKMT2AATMTHRB
SCHEMBL17484387 0.83 POLB (0.41) FFAR1FFAR4KMT2ATHRB
SCHEMBL17484351 0.83 ELANE (0.41) ELANEKMT2AATMTHRBAKT1
SCHEMBL17484394 0.82 TSHR (0.33) THRB
SCHEMBL17484379 0.81 TSHR (0.36) THRB
SCHEMBL17070457 0.80 TSHR (0.33) THRBAKT1
SCHEMBL17484402 0.79 RARB (0.33) ELANEFFAR4THRB
SCHEMBL17477122 0.79 ELANE (0.43) ELANEKMT2AATMTHRB
SCHEMBL17484390 0.78 POLB (0.37) FFAR1FFAR4
SCHEMBL17070425 0.78 THRB (0.37) THRB

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
WO-2016015803-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2016-02-04 WO disclosed