SCHEMBL28267455

SCHEMBL28267455

C=C(C#N)Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.52
SRD5A2 P31213 4/20 0.49
FFAR1 O14842 2/20 0.45
NR3C1 P04150 1/20 0.43
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
NAAA Q02083 1/20 0.42
TSHR P16473 1/20 0.41
EPHX2 P34913 3/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL6560456 0.83 CES1 (0.44) TSHR
SCHEMBL9362146 0.74 LTA4H (0.53) LTA4HSRD5A2FFAR1NR3C1NR1H2
SCHEMBL8694782 0.74 SRD5A2 (0.58) LTA4HSRD5A2FFAR1NR3C1EPHX2
SCHEMBL10433497 0.74 ESR1 (0.46)
SCHEMBL1163251 0.73 PARP10 (0.48) LTA4HSRD5A2NR1H2BAXTSHR
SCHEMBL625835 0.72 LTA4H (0.55) LTA4HSRD5A2FFAR1NR1H2BAX
SCHEMBL1145770 0.72 SRD5A2 (0.83) LTA4HSRD5A2FFAR1NR3C1TSHR
SCHEMBL9711192 0.72 LTA4H (0.61) LTA4HSRD5A2FFAR1NR3C1NR1H2
SCHEMBL9252738 0.72 LTA4H (0.61) LTA4HSRD5A2FFAR1NR3C1NR1H2
SCHEMBL28548544 0.71 SRD5A2 (0.56) LTA4HSRD5A2FFAR1NR3C1NR1H2

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
CN-109180683-A A kind of preparation method for replacing Buddhist nun according to Shandong 南通雅本化学有限公司 2019-01-11 CN disclosed