SCHEMBL15099679

SCHEMBL15099679

CCc1cc(-c2ccc(Cl)cc2)ccc1C1=C(CCC(C)=O)[C@@H]2CC[C@@H](C2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 2/20 0.34
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TDP2 O95551 1/20 0.32
▸ HSD17B1 P14061 3/20 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
SCHEMBL18971237 0.82 HSD17B1 (0.36) SLC6A3TDP2HSD17B1
SCHEMBL12115786 0.82 HSD17B1 (0.36) SLC6A3TDP2HSD17B1
SCHEMBL18971735 0.82 HSD17B1 (0.36) SLC6A3TDP2HSD17B1
SCHEMBL12116226 0.80 SLC6A3 (0.37) SLC6A3TDP2HSD17B1
SCHEMBL18971261 0.80 SLC6A3 (0.37) SLC6A3TDP2HSD17B1
SCHEMBL12115754 0.73 JAK2 (0.36) SLC6A3TDP2HSD17B1
SCHEMBL18971220 0.73 JAK2 (0.36) SLC6A3TDP2HSD17B1
SCHEMBL13285156 0.72 SLC6A3 (0.36) SLC6A3TDP2HSD17B1
SCHEMBL12115776 0.71 SLC6A3 (0.37) SLC6A3HSD17B1
SCHEMBL18971232 0.71 SLC6A3 (0.37) SLC6A3HSD17B1

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
EP-2387311-B1 BICYCLIC 1,3-DIONES AND THEIR USE AS INSECITICIDES, ACARICIDES AND/OR FUNGICIDES BAYER CROPSCIENCE AG (DE) 2013-07-10 — — EP disclosed
Send feedback