SCHEMBL19743533

SCHEMBL19743533

O=C(/C1=C/CC/C=C\CC/C=C\CC1)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.32
TSHR P16473 1/20 0.31
SLC6A1 P30531 1/20 0.31
SLC6A13 Q9NSD5 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL19743531 1.00 RIPK1 (0.32) RIPK1TSHRSLC6A1SLC6A13HDAC3
SCHEMBL19743532 1.00 RIPK1 (0.32) RIPK1TSHRSLC6A1SLC6A13HDAC3
SCHEMBL6268542 0.78 HDAC2 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13569723 0.76 NPC1 (0.30) SMN1; SMN2
SCHEMBL19743892 0.72 HDAC4 (0.33) TSHRSLC6A1SLC6A13HDAC3HDAC4
SCHEMBL19743464 0.72 HDAC4 (0.33) TSHRSLC6A1SLC6A13HDAC3HDAC4
SCHEMBL19743890 0.72 HDAC4 (0.33) TSHRSLC6A1SLC6A13HDAC3HDAC4
SCHEMBL21051557 0.72 HDAC4 (0.33) TSHRSLC6A1SLC6A13HDAC3HDAC4
SCHEMBL21051555 0.72 HDAC4 (0.33) TSHRSLC6A1SLC6A13HDAC3HDAC4
SCHEMBL19743889 0.72 HDAC4 (0.33) TSHRSLC6A1SLC6A13HDAC3HDAC4

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
EP-3475401-A1 POWERFUL WOODY POWDERY ODORANT Firmenich S.A. (CH) 2019-05-01 EP disclosed
WO-2017220568-A1 POWERFUL WOODY POWDERY ODORANT FIRMENICH SA (CH) 2017-12-28 WO disclosed