SCHEMBL24246299

SCHEMBL24246299

CC1CCC=C2CC3OC(=O)C=C3CC21C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ CYP19A1 P11511 2/20 0.32
▸ PLA2G2A P14555 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
SCHEMBL23106893 1.00 HMGCR (0.33) HMGCRALOX5PTGS2CYP19A1PLA2G2A
SCHEMBL24246323 0.74 CYP19A1 (0.33) CYP19A1
SCHEMBL23106983 0.74 CYP19A1 (0.33) CYP19A1
SCHEMBL23106927 0.69 SMN1; SMN2 (0.34) CYP19A1
SCHEMBL24246204 0.69 SMN1; SMN2 (0.34) CYP19A1
SCHEMBL23106956 0.69 SMN1; SMN2 (0.34) CYP19A1
SCHEMBL23107237 0.63 MAPT (0.47) PTGS2
SCHEMBL12620337 0.63 MAPT (0.42) PTGS2
SCHEMBL24246322 0.63 MAPT (0.47) PTGS2
SCHEMBL23106867 0.62 SHBG (0.44) CYP19A1

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-3634954-B1 METHOD OF PRODUCING EPD AND ANALOGUES THEREOF VAN HAAFTEN CAROLINE (NL) 2022-02-09 — — EP disclosed
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