SCHEMBL19829242

SCHEMBL19829242

CC(C)(C#CC[C@]1(CC(=O)O)OC(C(C)(C)C)OC1=O)OCc1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.31
AKR1B1 P15121 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
SCHEMBL18229665 1.00 NAAA (0.31) NAAAAKR1B1
SCHEMBL18229668 0.91 NAAA (0.32) NAAA
SCHEMBL20156639 0.89 AKR1B1 (0.32) NAAAAKR1B1
SCHEMBL20156649 0.84 HPSE (0.32)
SCHEMBL19832120 0.82 AKR1B1 (0.32) NAAAAKR1B1
SCHEMBL18229672 0.81 PKM (0.30)
SCHEMBL20156626 0.80 TSHR (0.31) NAAA
SCHEMBL20150654 0.73 NAAA (0.32) NAAA
SCHEMBL18229721 0.73 KDM4E (0.31)
SCHEMBL18229720 0.73 KDM4E (0.31)

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
WO-2018019549-A1 DIOXOLANONE INTERMEDIATE USEFUL IN THE SYNTHESIS OF HOMOHARRINGTONINE INDENA S.P.A. (IT) 2018-02-01 WO disclosed
EP-3275875-A1 DIOXOLANONE INTERMEDIATE USEFUL IN THE SYNTHESIS OF HOMOHARRINGTONINE INDENA S.p.A. (IT) 2018-01-31 EP disclosed