SCHEMBL11022246

SCHEMBL11022246

CC(=O)OC1C=CCC2C(=O)C=C(C)C(=O)C12

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.51
HK1 P19367 1/20 0.51
HKDC1 Q2TB90 1/20 0.51
PTGS1 P23219 1/20 0.32

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
SCHEMBL11019899 0.89 NSD2 (0.54) NSD2HK1HKDC1PTGS1
SCHEMBL11832717 0.75 NSD2 (0.70) NSD2HK1HKDC1
SCHEMBL10633275 0.74 NSD2 (0.49) NSD2HK1HKDC1
SCHEMBL10903809 0.74 NSD2 (0.49) NSD2HK1HKDC1
SCHEMBL6215321 0.72 NSD2 (0.48) NSD2HK1HKDC1
SCHEMBL7637697 0.70 NSD2 (0.77) NSD2HK1HKDC1
SCHEMBL17195889 0.69 NSD2 (0.46) NSD2HK1HKDC1
SCHEMBL2229054 0.66 NPSR1 (0.36)
SCHEMBL3672027 0.65 NSD2 (0.39) NSD2HK1HKDC1
SCHEMBL13606433 0.62 NSD2 (0.37) NSD2HK1HKDC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0078922-B1 PROCESS FOR THE PREPARATION OF VITAMINS K3 AND K4 AND OF THEIR DERIVATIVES BASF Aktiengesellschaft (DE) 1985-01-23 EP claimed
US-4482492-A Preparation of vitamins K3 and K4 and derivatives BASF AKTIENGESELLSCHAFT (DE) 1984-11-13 US claimed
EP-0078922-A1 Process for the preparation of vitamins K3 and K4 and of their derivatives BASF Aktiengesellschaft (DE) 1983-05-18 EP claimed
EP-0078922-B1 PROCESS FOR THE PREPARATION OF VITAMINS K3 AND K4 AND OF THEIR DERIVATIVES BASF Aktiengesellschaft (DE) 1985-01-23 EP disclosed